REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1rxs_1_O DATA FIRST_RESID 1004 DATA SEQUENCE SDVFHLGLTK NDLQGATLAI VPGDPDRVEK IAALMDKPVK LASHREFTTW DATA SEQUENCE RAELDGKPVI VCSTGIGGPS TSIAVEELAQ LGIRTFLRIG TTGAIQPHIN DATA SEQUENCE VGDVLVTTAS VRLDGASLHF APLEFPAVAD FECTTALVEA AKSIGATTHV DATA SEQUENCE GVTASSDTFY PGQERYDTYS GRVVRHFKGS MEEWQAMGVM NYEMESATLL DATA SEQUENCE TMCASQGLRA GMVAGVIVNR TQQEIPXXXX MKQTESHAVK IVVEAARRLL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1004 S HA 0.000 nan 4.470 nan 0.000 0.327 1004 S C 0.000 174.592 174.600 -0.013 0.000 1.055 1004 S CA 0.000 58.185 58.200 -0.025 0.000 1.107 1004 S CB 0.000 63.162 63.200 -0.064 0.000 0.593 1005 D N 1.609 122.007 120.400 -0.004 0.000 2.333 1005 D HA 0.150 4.790 4.640 0.000 0.000 0.208 1005 D C 0.934 177.246 176.300 0.020 0.000 0.984 1005 D CA 1.277 55.282 54.000 0.009 0.000 0.873 1005 D CB 0.545 41.352 40.800 0.011 0.000 0.935 1005 D HN 0.588 nan 8.370 nan 0.000 0.521 1006 V N -2.080 117.841 119.914 0.012 0.000 2.823 1006 V HA 0.372 4.492 4.120 0.000 0.000 0.312 1006 V C 0.786 176.890 176.094 0.016 0.000 1.072 1006 V CA -1.024 61.296 62.300 0.034 0.000 0.937 1006 V CB 1.799 33.636 31.823 0.024 0.000 1.013 1006 V HN -0.160 nan 8.190 nan 0.000 0.430 1007 F N 1.716 121.597 119.950 -0.115 0.000 2.234 1007 F HA 0.042 4.569 4.527 0.000 0.000 0.299 1007 F C 1.809 177.377 175.800 -0.387 0.000 1.087 1007 F CA 2.410 60.257 58.000 -0.255 0.000 1.340 1007 F CB -0.078 38.734 39.000 -0.312 0.000 1.031 1007 F HN 0.848 nan 8.300 nan 0.000 0.500 1008 H N -1.395 117.555 119.070 -0.201 0.000 2.460 1008 H HA 0.226 4.782 4.556 0.000 0.000 0.297 1008 H C 2.092 177.293 175.328 -0.212 0.000 1.023 1008 H CA 0.943 56.829 56.048 -0.270 0.000 1.321 1008 H CB -0.206 29.429 29.762 -0.212 0.000 1.455 1008 H HN 0.098 nan 8.280 nan 0.000 0.539 1009 L N 0.032 121.198 121.223 -0.095 0.000 2.291 1009 L HA 0.073 4.413 4.340 0.000 0.000 0.214 1009 L C 1.007 177.931 176.870 0.089 0.000 1.120 1009 L CA 0.708 55.542 54.840 -0.010 0.000 0.799 1009 L CB -0.489 41.539 42.059 -0.051 0.000 0.925 1009 L HN 0.544 nan 8.230 nan 0.000 0.446 1010 G N 1.403 110.156 108.800 -0.079 0.000 2.338 1010 G HA2 -0.270 3.691 3.960 0.000 0.000 0.296 1010 G HA3 -0.270 3.691 3.960 0.000 0.000 0.296 1010 G C -0.215 174.709 174.900 0.039 0.000 1.040 1010 G CA 0.162 45.201 45.100 -0.100 0.000 1.004 1010 G HN 0.263 nan 8.290 nan 0.000 0.509 1011 L N -0.512 120.719 121.223 0.013 0.000 2.301 1011 L HA 0.899 5.239 4.340 0.000 0.000 0.264 1011 L C 0.675 177.548 176.870 0.005 0.000 1.016 1011 L CA -0.628 54.224 54.840 0.020 0.000 0.821 1011 L CB 2.459 44.535 42.059 0.027 0.000 1.346 1011 L HN 0.382 nan 8.230 nan 0.000 0.429 1012 T N -3.362 111.195 114.554 0.005 0.000 2.908 1012 T HA 0.310 4.660 4.350 0.000 0.000 0.290 1012 T C 0.508 175.210 174.700 0.004 0.000 1.034 1012 T CA -0.819 61.282 62.100 0.003 0.000 1.010 1012 T CB 2.175 71.043 68.868 -0.001 0.000 1.068 1012 T HN 0.602 nan 8.240 nan 0.000 0.481 1013 K N 1.193 121.596 120.400 0.005 0.000 2.127 1013 K HA -0.212 4.108 4.320 0.000 0.000 0.208 1013 K C 2.129 178.729 176.600 0.000 0.000 1.047 1013 K CA 1.799 58.088 56.287 0.004 0.000 0.927 1013 K CB -0.251 32.252 32.500 0.005 0.000 0.716 1013 K HN 0.628 nan 8.250 nan 0.000 0.450 1014 N N 0.689 119.388 118.700 -0.001 0.000 2.104 1014 N HA -0.171 4.569 4.740 0.000 0.000 0.190 1014 N C 1.045 176.551 175.510 -0.007 0.000 1.024 1014 N CA 1.577 54.625 53.050 -0.004 0.000 0.853 1014 N CB -0.212 38.272 38.487 -0.005 0.000 1.008 1014 N HN 0.290 nan 8.380 nan 0.000 0.424 1015 D N 0.690 121.085 120.400 -0.007 0.000 2.228 1015 D HA -0.141 4.499 4.640 0.000 0.000 0.203 1015 D C 1.783 178.078 176.300 -0.008 0.000 0.988 1015 D CA 0.613 54.606 54.000 -0.011 0.000 0.864 1015 D CB -0.045 40.749 40.800 -0.010 0.000 0.928 1015 D HN 0.223 nan 8.370 nan 0.000 0.469 1016 L N 0.506 121.727 121.223 -0.004 0.000 2.418 1016 L HA 0.002 4.342 4.340 0.000 0.000 0.218 1016 L C 0.751 177.617 176.870 -0.006 0.000 1.125 1016 L CA 0.575 55.413 54.840 -0.003 0.000 0.835 1016 L CB -0.277 41.779 42.059 -0.004 0.000 0.953 1016 L HN 0.020 nan 8.230 nan 0.000 0.454 1017 Q N -0.320 119.476 119.800 -0.006 0.000 2.434 1017 Q HA -0.295 4.045 4.340 0.000 0.000 0.299 1017 Q C 1.114 177.110 176.000 -0.008 0.000 1.286 1017 Q CA 0.507 56.306 55.803 -0.006 0.000 0.872 1017 Q CB -2.506 26.229 28.738 -0.005 0.000 1.193 1017 Q HN 0.613 nan 8.270 nan 0.000 0.466 1018 G N -1.590 107.205 108.800 -0.009 0.000 2.143 1018 G HA2 -0.241 3.719 3.960 0.000 0.000 0.249 1018 G HA3 -0.241 3.719 3.960 0.000 0.000 0.249 1018 G C 0.332 175.221 174.900 -0.018 0.000 0.981 1018 G CA 0.287 45.380 45.100 -0.012 0.000 0.665 1018 G HN 1.220 nan 8.290 nan 0.000 0.528 1019 A N 0.124 122.931 122.820 -0.021 0.000 2.531 1019 A HA 0.593 4.913 4.320 0.000 0.000 0.236 1019 A C 1.471 179.024 177.584 -0.053 0.000 1.062 1019 A CA 1.831 53.848 52.037 -0.034 0.000 0.760 1019 A CB 0.235 19.216 19.000 -0.031 0.000 0.995 1019 A HN 1.705 nan 8.150 nan 0.000 0.501 1020 T N -0.131 114.380 114.554 -0.071 0.000 3.058 1020 T HA 0.414 4.764 4.350 0.000 0.000 0.278 1020 T C -0.008 174.592 174.700 -0.165 0.000 0.974 1020 T CA 0.048 62.088 62.100 -0.099 0.000 0.893 1020 T CB -0.510 68.320 68.868 -0.065 0.000 1.138 1020 T HN 0.589 nan 8.240 nan 0.000 0.529 1021 L N 1.630 122.758 121.223 -0.158 0.000 2.386 1021 L HA 0.883 5.223 4.340 0.000 0.000 0.271 1021 L C -1.444 175.310 176.870 -0.194 0.000 0.993 1021 L CA -0.979 53.742 54.840 -0.198 0.000 0.819 1021 L CB 1.874 43.864 42.059 -0.116 0.000 1.294 1021 L HN 0.215 nan 8.230 nan 0.000 0.414 1022 A N 5.745 128.400 122.820 -0.274 0.000 2.356 1022 A HA 0.697 5.017 4.320 0.000 0.000 0.310 1022 A C -0.954 176.600 177.584 -0.050 0.000 1.075 1022 A CA -0.544 51.401 52.037 -0.153 0.000 0.746 1022 A CB 1.078 19.970 19.000 -0.180 0.000 1.221 1022 A HN 0.681 nan 8.150 nan 0.000 0.443 1023 I N 2.593 123.166 120.570 0.005 0.000 2.342 1023 I HA 0.340 4.510 4.170 0.000 0.000 0.291 1023 I C -0.134 176.027 176.117 0.074 0.000 1.010 1023 I CA -0.517 60.804 61.300 0.036 0.000 1.308 1023 I CB 1.684 39.695 38.000 0.018 0.000 1.400 1023 I HN 0.460 nan 8.210 nan 0.000 0.488 1024 V N 5.897 125.871 119.914 0.100 0.000 2.276 1024 V HA 0.496 4.616 4.120 0.000 0.000 0.268 1024 V C -2.474 173.668 176.094 0.080 0.000 1.032 1024 V CA -1.887 60.484 62.300 0.119 0.000 0.810 1024 V CB 0.303 32.233 31.823 0.180 0.000 1.060 1024 V HN 0.464 nan 8.190 nan 0.000 0.446 1025 P HA 0.314 nan 4.420 nan 0.000 0.277 1025 P C 0.923 178.247 177.300 0.040 0.000 1.271 1025 P CA 0.257 63.379 63.100 0.037 0.000 0.795 1025 P CB 1.731 33.441 31.700 0.017 0.000 1.101 1026 G N -0.695 108.118 108.800 0.021 0.000 2.492 1026 G HA2 -0.047 3.913 3.960 0.000 0.000 0.214 1026 G HA3 -0.047 3.913 3.960 0.000 0.000 0.214 1026 G C 0.200 175.096 174.900 -0.007 0.000 1.147 1026 G CA 0.387 45.494 45.100 0.011 0.000 0.809 1026 G HN 0.508 nan 8.290 nan 0.000 0.533 1027 D N 0.386 120.779 120.400 -0.012 0.000 2.317 1027 D HA 0.285 4.925 4.640 0.000 0.000 0.234 1027 D C -1.182 175.107 176.300 -0.018 0.000 1.112 1027 D CA -2.569 51.415 54.000 -0.027 0.000 0.840 1027 D CB 2.135 42.916 40.800 -0.032 0.000 1.078 1027 D HN -0.056 nan 8.370 nan 0.000 0.486 1028 P HA -0.153 nan 4.420 nan 0.000 0.217 1028 P C 0.528 177.828 177.300 -0.001 0.000 1.148 1028 P CA 1.016 64.119 63.100 0.006 0.000 0.834 1028 P CB 0.414 32.110 31.700 -0.007 0.000 0.783 1029 D N -1.170 119.217 120.400 -0.022 0.000 2.312 1029 D HA -0.076 4.564 4.640 0.000 0.000 0.211 1029 D C 1.968 178.230 176.300 -0.063 0.000 0.964 1029 D CA 0.532 54.511 54.000 -0.034 0.000 0.877 1029 D CB -0.153 40.627 40.800 -0.032 0.000 0.924 1029 D HN 0.201 nan 8.370 nan 0.000 0.515 1030 R N 0.646 121.110 120.500 -0.060 0.000 2.280 1030 R HA 0.034 4.374 4.340 0.000 0.000 0.195 1030 R C 1.949 178.180 176.300 -0.114 0.000 0.935 1030 R CA 0.046 56.100 56.100 -0.076 0.000 1.033 1030 R CB 0.315 30.586 30.300 -0.048 0.000 0.964 1030 R HN 0.001 nan 8.270 nan 0.000 0.489 1031 V N 1.042 120.888 119.914 -0.114 0.000 2.261 1031 V HA -0.262 3.858 4.120 0.000 0.000 0.246 1031 V C 2.323 178.173 176.094 -0.405 0.000 1.047 1031 V CA 2.168 64.378 62.300 -0.150 0.000 1.015 1031 V CB -0.454 31.357 31.823 -0.020 0.000 0.642 1031 V HN 0.421 nan 8.190 nan 0.000 0.446 1032 E N 0.239 120.066 120.200 -0.621 0.000 2.077 1032 E HA -0.286 4.064 4.350 0.000 0.000 0.193 1032 E C 2.216 178.439 176.600 -0.628 0.000 0.989 1032 E CA 1.520 57.266 56.400 -1.090 0.000 0.800 1032 E CB -0.060 29.099 29.700 -0.902 0.000 0.746 1032 E HN 0.576 nan 8.360 nan 0.000 0.452 1033 K N 0.244 120.431 120.400 -0.355 0.000 2.063 1033 K HA -0.144 4.176 4.320 0.000 0.000 0.208 1033 K C 2.138 178.624 176.600 -0.191 0.000 1.048 1033 K CA 1.738 57.892 56.287 -0.223 0.000 0.928 1033 K CB -0.142 32.273 32.500 -0.142 0.000 0.713 1033 K HN 0.211 nan 8.250 nan 0.000 0.442 1034 I N 0.589 121.050 120.570 -0.181 0.000 2.202 1034 I HA -0.266 3.904 4.170 0.000 0.000 0.242 1034 I C 2.429 178.472 176.117 -0.124 0.000 1.091 1034 I CA 1.130 62.357 61.300 -0.121 0.000 1.368 1034 I CB -0.379 37.571 38.000 -0.084 0.000 1.058 1034 I HN 0.159 nan 8.210 nan 0.000 0.410 1035 A N 0.822 123.532 122.820 -0.185 0.000 1.948 1035 A HA -0.233 4.087 4.320 0.000 0.000 0.220 1035 A C 2.481 180.005 177.584 -0.099 0.000 1.177 1035 A CA 1.982 53.948 52.037 -0.118 0.000 0.636 1035 A CB -0.939 17.978 19.000 -0.138 0.000 0.815 1035 A HN 0.455 nan 8.150 nan 0.000 0.449 1036 A N -1.194 121.516 122.820 -0.184 0.000 2.125 1036 A HA 0.053 4.373 4.320 0.000 0.000 0.219 1036 A C 1.677 179.225 177.584 -0.061 0.000 1.156 1036 A CA 1.355 53.321 52.037 -0.117 0.000 0.671 1036 A CB -0.343 18.564 19.000 -0.156 0.000 0.794 1036 A HN 0.375 nan 8.150 nan 0.000 0.459 1037 L N -1.190 119.996 121.223 -0.060 0.000 2.554 1037 L HA 0.239 4.579 4.340 0.000 0.000 0.226 1037 L C 1.040 177.897 176.870 -0.021 0.000 1.137 1037 L CA 0.864 55.682 54.840 -0.037 0.000 0.863 1037 L CB -0.947 41.089 42.059 -0.039 0.000 0.985 1037 L HN 0.419 nan 8.230 nan 0.000 0.451 1038 M N -1.815 117.778 119.600 -0.013 0.000 2.872 1038 M HA 0.298 4.778 4.480 0.000 0.000 0.290 1038 M C -0.397 175.913 176.300 0.017 0.000 1.180 1038 M CA -0.892 54.410 55.300 0.003 0.000 0.839 1038 M CB 1.034 33.639 32.600 0.009 0.000 1.667 1038 M HN -0.189 nan 8.290 nan 0.000 0.512 1039 D N 0.988 121.401 120.400 0.022 0.000 2.283 1039 D HA 0.188 4.828 4.640 0.000 0.000 0.248 1039 D C -0.514 175.814 176.300 0.046 0.000 1.072 1039 D CA -0.100 53.917 54.000 0.028 0.000 0.929 1039 D CB 0.774 41.585 40.800 0.019 0.000 1.182 1039 D HN 0.448 nan 8.370 nan 0.000 0.433 1040 K N -0.333 120.097 120.400 0.051 0.000 3.278 1040 K HA -0.139 4.181 4.320 0.000 0.000 0.270 1040 K C -2.329 174.332 176.600 0.101 0.000 0.955 1040 K CA 0.091 56.415 56.287 0.061 0.000 0.723 1040 K CB -1.347 31.176 32.500 0.039 0.000 1.382 1040 K HN 0.359 nan 8.250 nan 0.000 0.461 1041 P HA 0.128 nan 4.420 nan 0.000 0.271 1041 P C -0.390 177.111 177.300 0.335 0.000 1.220 1041 P CA -0.088 63.201 63.100 0.316 0.000 0.768 1041 P CB 1.291 33.194 31.700 0.338 0.000 0.848 1042 V N 4.025 124.059 119.914 0.200 0.000 2.623 1042 V HA 0.257 4.377 4.120 0.000 0.000 0.304 1042 V C 0.368 176.029 176.094 -0.722 0.000 1.054 1042 V CA -0.960 61.209 62.300 -0.218 0.000 0.882 1042 V CB 2.062 33.810 31.823 -0.125 0.000 1.002 1042 V HN 0.481 nan 8.190 nan 0.000 0.424 1043 K N 3.690 123.189 120.400 -1.501 0.000 2.416 1043 K HA 0.343 4.663 4.320 0.000 0.000 0.283 1043 K C 0.322 176.515 176.600 -0.678 0.000 1.037 1043 K CA -0.013 55.278 56.287 -1.659 0.000 0.995 1043 K CB 0.641 32.311 32.500 -1.384 0.000 0.938 1043 K HN 0.662 nan 8.250 nan 0.000 0.475 1044 L N 2.747 123.700 121.223 -0.450 0.000 2.262 1044 L HA 0.315 4.655 4.340 0.000 0.000 0.197 1044 L C 0.540 177.325 176.870 -0.141 0.000 1.073 1044 L CA 0.335 55.052 54.840 -0.205 0.000 0.800 1044 L CB 0.194 42.198 42.059 -0.092 0.000 0.987 1044 L HN 0.806 nan 8.230 nan 0.000 0.470 1045 A N -1.311 121.441 122.820 -0.113 0.000 2.601 1045 A HA 0.625 4.945 4.320 0.000 0.000 0.291 1045 A C -1.179 176.347 177.584 -0.098 0.000 1.075 1045 A CA -0.286 51.704 52.037 -0.078 0.000 0.671 1045 A CB 1.773 20.820 19.000 0.079 0.000 1.277 1045 A HN -0.136 nan 8.150 nan 0.000 0.417 1046 S N 0.535 116.053 115.700 -0.304 0.000 2.680 1046 S HA 0.621 5.091 4.470 0.000 0.000 0.262 1046 S C -1.776 172.512 174.600 -0.521 0.000 1.138 1046 S CA -0.473 57.584 58.200 -0.238 0.000 1.072 1046 S CB 0.238 63.355 63.200 -0.140 0.000 1.097 1046 S HN 0.727 nan 8.310 nan 0.000 0.468 1047 H N 3.305 122.440 119.070 0.109 0.000 2.856 1047 H HA 0.517 5.073 4.556 0.000 0.000 0.355 1047 H C 0.513 175.914 175.328 0.122 0.000 1.079 1047 H CA -0.553 55.557 56.048 0.103 0.000 1.240 1047 H CB 1.550 31.374 29.762 0.104 0.000 1.701 1047 H HN 0.738 nan 8.280 nan 0.000 0.527 1048 R N 0.486 121.071 120.500 0.142 0.000 3.750 1048 R HA -0.240 4.100 4.340 0.000 0.000 0.495 1048 R C 1.193 177.407 176.300 -0.144 0.000 0.241 1048 R CA 1.925 58.024 56.100 -0.002 0.000 1.551 1048 R CB -0.708 29.600 30.300 0.014 0.000 0.956 1048 R HN 0.782 nan 8.270 nan 0.000 0.584 1049 E N 1.904 121.841 120.200 -0.437 0.000 2.494 1049 E HA -0.009 4.341 4.350 0.000 0.000 0.193 1049 E C -0.143 176.196 176.600 -0.436 0.000 1.074 1049 E CA 0.684 56.811 56.400 -0.455 0.000 0.867 1049 E CB 0.062 29.450 29.700 -0.521 0.000 0.924 1049 E HN 0.363 nan 8.360 nan 0.000 0.502 1050 F N 1.736 121.723 119.950 0.063 0.000 2.335 1050 F HA 0.303 4.830 4.527 0.000 0.000 0.365 1050 F C 0.281 176.129 175.800 0.081 0.000 1.122 1050 F CA -0.618 57.430 58.000 0.080 0.000 1.151 1050 F CB 1.413 40.474 39.000 0.103 0.000 1.282 1050 F HN -0.318 nan 8.300 nan 0.000 0.513 1051 T N 1.942 116.628 114.554 0.221 0.000 2.794 1051 T HA 0.472 4.822 4.350 0.000 0.000 0.280 1051 T C -0.154 174.694 174.700 0.247 0.000 0.987 1051 T CA -0.538 61.681 62.100 0.199 0.000 0.993 1051 T CB 1.328 70.302 68.868 0.177 0.000 0.939 1051 T HN 0.399 nan 8.240 nan 0.000 0.449 1052 T N 3.342 118.036 114.554 0.233 0.000 2.841 1052 T HA 0.484 4.834 4.350 0.000 0.000 0.285 1052 T C -1.179 173.663 174.700 0.236 0.000 0.991 1052 T CA -0.626 61.606 62.100 0.221 0.000 0.966 1052 T CB 0.699 69.647 68.868 0.135 0.000 0.962 1052 T HN 0.446 nan 8.240 nan 0.000 0.438 1053 W N 1.856 123.171 121.300 0.025 0.000 2.706 1053 W HA 0.668 5.328 4.660 0.000 0.000 0.346 1053 W C 0.238 176.762 176.519 0.009 0.000 1.071 1053 W CA -1.105 56.247 57.345 0.013 0.000 1.206 1053 W CB 1.270 30.735 29.460 0.008 0.000 1.413 1053 W HN 0.380 nan 8.180 nan 0.000 0.542 1054 R N 1.606 122.218 120.500 0.187 0.000 2.589 1054 R HA 0.870 5.210 4.340 0.000 0.000 0.293 1054 R C -0.611 175.780 176.300 0.152 0.000 0.963 1054 R CA -0.296 55.875 56.100 0.119 0.000 0.905 1054 R CB 1.459 31.784 30.300 0.042 0.000 1.144 1054 R HN 0.663 nan 8.270 nan 0.000 0.459 1055 A N 2.573 125.458 122.820 0.108 0.000 2.583 1055 A HA 0.535 4.855 4.320 0.000 0.000 0.299 1055 A C -1.534 176.079 177.584 0.049 0.000 1.258 1055 A CA -0.651 51.442 52.037 0.093 0.000 0.682 1055 A CB 1.712 20.770 19.000 0.097 0.000 1.332 1055 A HN 0.697 nan 8.150 nan 0.000 0.485 1056 E N -0.764 119.459 120.200 0.038 0.000 2.292 1056 E HA 0.570 4.920 4.350 0.000 0.000 0.272 1056 E C -2.306 174.302 176.600 0.012 0.000 0.881 1056 E CA -0.572 55.840 56.400 0.020 0.000 0.754 1056 E CB 2.196 31.908 29.700 0.019 0.000 1.201 1056 E HN 0.409 nan 8.360 nan 0.000 0.425 1057 L N 3.998 125.223 121.223 0.004 0.000 2.441 1057 L HA 0.315 4.655 4.340 0.000 0.000 0.270 1057 L C -1.261 175.606 176.870 -0.005 0.000 0.973 1057 L CA -0.184 54.654 54.840 -0.002 0.000 0.842 1057 L CB 1.501 43.556 42.059 -0.006 0.000 1.239 1057 L HN 0.586 nan 8.230 nan 0.000 0.406 1058 D N 4.447 124.845 120.400 -0.005 0.000 2.704 1058 D HA -0.205 4.435 4.640 0.000 0.000 0.232 1058 D C 1.206 177.504 176.300 -0.004 0.000 1.183 1058 D CA 1.476 55.473 54.000 -0.005 0.000 0.647 1058 D CB -0.935 39.861 40.800 -0.008 0.000 1.013 1058 D HN 1.161 nan 8.370 nan 0.000 0.415 1059 G N -0.600 108.199 108.800 -0.001 0.000 2.175 1059 G HA2 -0.370 3.590 3.960 0.000 0.000 0.265 1059 G HA3 -0.370 3.590 3.960 0.000 0.000 0.265 1059 G C 0.239 175.139 174.900 -0.001 0.000 0.979 1059 G CA 0.846 45.946 45.100 -0.000 0.000 0.663 1059 G HN 0.489 nan 8.290 nan 0.000 0.533 1060 K N 1.014 121.412 120.400 -0.003 0.000 2.221 1060 K HA 0.435 4.755 4.320 0.000 0.000 0.258 1060 K C -2.620 173.978 176.600 -0.004 0.000 0.944 1060 K CA -1.959 54.325 56.287 -0.006 0.000 0.823 1060 K CB 2.761 35.255 32.500 -0.010 0.000 1.113 1060 K HN 0.033 nan 8.250 nan 0.000 0.431 1061 P HA 0.119 nan 4.420 nan 0.000 0.271 1061 P C -0.582 176.714 177.300 -0.007 0.000 1.216 1061 P CA -0.266 62.834 63.100 -0.000 0.000 0.771 1061 P CB 0.889 32.587 31.700 -0.002 0.000 0.864 1062 V N 4.565 124.481 119.914 0.003 0.000 2.841 1062 V HA 0.359 4.479 4.120 0.000 0.000 0.310 1062 V C 0.069 176.172 176.094 0.016 0.000 1.090 1062 V CA -0.816 61.481 62.300 -0.004 0.000 0.930 1062 V CB 2.503 34.324 31.823 -0.004 0.000 1.014 1062 V HN 0.398 nan 8.190 nan 0.000 0.425 1063 I N 3.793 124.365 120.570 0.003 0.000 2.437 1063 I HA 0.524 4.694 4.170 0.000 0.000 0.298 1063 I C -0.297 175.851 176.117 0.052 0.000 0.984 1063 I CA -0.499 60.822 61.300 0.035 0.000 1.214 1063 I CB 1.913 39.922 38.000 0.014 0.000 1.365 1063 I HN 0.245 nan 8.210 nan 0.000 0.469 1064 V N 5.236 125.212 119.914 0.104 0.000 2.448 1064 V HA 0.440 4.560 4.120 0.000 0.000 0.295 1064 V C -0.471 175.709 176.094 0.145 0.000 1.025 1064 V CA -0.486 61.876 62.300 0.102 0.000 0.859 1064 V CB 2.079 33.949 31.823 0.078 0.000 0.988 1064 V HN 0.899 nan 8.190 nan 0.000 0.431 1065 C N 4.958 124.338 119.300 0.134 0.000 2.607 1065 C HA 0.672 5.132 4.460 0.000 0.000 0.350 1065 C C 0.397 175.490 174.990 0.171 0.000 1.101 1065 C CA -0.448 58.672 59.018 0.170 0.000 1.282 1065 C CB 1.031 28.873 27.740 0.169 0.000 1.825 1065 C HN 1.038 nan 8.230 nan 0.000 0.460 1066 S N 3.322 119.131 115.700 0.181 0.000 2.580 1066 S HA 0.380 4.850 4.470 0.000 0.000 0.274 1066 S C 0.949 175.683 174.600 0.223 0.000 1.329 1066 S CA 0.373 58.661 58.200 0.146 0.000 1.036 1066 S CB 1.378 64.627 63.200 0.083 0.000 0.919 1066 S HN 1.031 nan 8.310 nan 0.000 0.515 1067 T N -0.812 113.834 114.554 0.153 0.000 3.037 1067 T HA 0.503 4.853 4.350 0.000 0.000 0.251 1067 T C 1.221 175.954 174.700 0.055 0.000 1.079 1067 T CA 0.268 62.482 62.100 0.191 0.000 1.067 1067 T CB -0.982 67.959 68.868 0.121 0.000 0.948 1067 T HN 1.896 nan 8.240 nan 0.000 0.496 1068 G N 1.495 110.265 108.800 -0.050 0.000 2.782 1068 G HA2 -0.133 3.827 3.960 0.000 0.000 0.228 1068 G HA3 -0.133 3.827 3.960 0.000 0.000 0.228 1068 G C -0.573 174.294 174.900 -0.055 0.000 1.372 1068 G CA -0.498 44.530 45.100 -0.120 0.000 0.862 1068 G HN 0.638 nan 8.290 nan 0.000 0.547 1069 I N 2.180 122.713 120.570 -0.063 0.000 2.416 1069 I HA 0.513 4.683 4.170 0.000 0.000 0.288 1069 I C 1.135 177.240 176.117 -0.020 0.000 1.051 1069 I CA 1.113 62.392 61.300 -0.036 0.000 1.375 1069 I CB 0.587 38.559 38.000 -0.048 0.000 1.407 1069 I HN 2.002 nan 8.210 nan 0.000 0.516 1070 G N 3.954 112.752 108.800 -0.003 0.000 2.663 1070 G HA2 -0.094 3.866 3.960 0.000 0.000 0.686 1070 G HA3 -0.094 3.866 3.960 0.000 0.000 0.686 1070 G C 0.547 175.452 174.900 0.008 0.000 1.246 1070 G CA -0.470 44.632 45.100 0.003 0.000 0.795 1070 G HN 0.926 nan 8.290 nan 0.000 0.627 1071 G N 0.447 109.250 108.800 0.005 0.000 2.446 1071 G HA2 0.041 4.001 3.960 0.000 0.000 0.217 1071 G HA3 0.041 4.001 3.960 0.000 0.000 0.217 1071 G C 0.168 175.075 174.900 0.012 0.000 1.168 1071 G CA 2.191 47.295 45.100 0.006 0.000 0.771 1071 G HN 0.710 nan 8.290 nan 0.000 0.551 1072 P HA -0.120 nan 4.420 nan 0.000 0.215 1072 P C 2.445 179.771 177.300 0.045 0.000 1.157 1072 P CA 2.405 65.505 63.100 0.001 0.000 0.868 1072 P CB -0.252 31.441 31.700 -0.012 0.000 0.788 1073 S N -2.143 113.594 115.700 0.063 0.000 2.406 1073 S HA -0.099 4.371 4.470 0.000 0.000 0.228 1073 S C 1.932 176.666 174.600 0.224 0.000 1.020 1073 S CA 1.648 59.946 58.200 0.163 0.000 0.965 1073 S CB -1.924 61.313 63.200 0.061 0.000 0.798 1073 S HN 0.075 nan 8.310 nan 0.000 0.488 1074 T N 3.035 117.656 114.554 0.112 0.000 2.746 1074 T HA -0.112 4.238 4.350 0.000 0.000 0.267 1074 T C 2.315 177.027 174.700 0.019 0.000 1.039 1074 T CA 1.861 64.005 62.100 0.073 0.000 1.142 1074 T CB -0.730 68.148 68.868 0.016 0.000 0.866 1074 T HN 0.795 nan 8.240 nan 0.000 0.444 1075 S N 1.163 116.878 115.700 0.024 0.000 2.399 1075 S HA -0.023 4.447 4.470 0.000 0.000 0.231 1075 S C 2.070 176.684 174.600 0.022 0.000 1.022 1075 S CA 0.711 58.929 58.200 0.030 0.000 0.983 1075 S CB -0.726 62.582 63.200 0.181 0.000 0.803 1075 S HN 0.510 nan 8.310 nan 0.000 0.480 1076 I N 2.058 122.631 120.570 0.004 0.000 2.163 1076 I HA -0.098 4.072 4.170 0.000 0.000 0.240 1076 I C 3.149 179.155 176.117 -0.186 0.000 1.081 1076 I CA 1.101 62.340 61.300 -0.101 0.000 1.353 1076 I CB -0.796 37.069 38.000 -0.225 0.000 1.054 1076 I HN 0.436 nan 8.210 nan 0.000 0.407 1077 A N 0.579 123.284 122.820 -0.193 0.000 1.883 1077 A HA -0.172 4.149 4.320 0.000 0.000 0.217 1077 A C 2.429 179.993 177.584 -0.034 0.000 1.186 1077 A CA 1.950 53.891 52.037 -0.159 0.000 0.624 1077 A CB -1.037 18.005 19.000 0.070 0.000 0.822 1077 A HN 0.245 nan 8.150 nan 0.000 0.444 1078 V N 0.155 120.016 119.914 -0.089 0.000 2.261 1078 V HA -0.255 3.865 4.120 0.000 0.000 0.246 1078 V C 2.647 178.671 176.094 -0.116 0.000 1.047 1078 V CA 2.498 64.644 62.300 -0.257 0.000 1.015 1078 V CB -0.801 30.669 31.823 -0.589 0.000 0.642 1078 V HN 0.765 nan 8.190 nan 0.000 0.446 1079 E N 0.922 121.076 120.200 -0.076 0.000 2.038 1079 E HA -0.262 4.088 4.350 0.000 0.000 0.195 1079 E C 2.078 178.707 176.600 0.048 0.000 1.000 1079 E CA 2.158 58.563 56.400 0.008 0.000 0.803 1079 E CB -0.337 29.400 29.700 0.062 0.000 0.750 1079 E HN 0.684 nan 8.360 nan 0.000 0.448 1080 E N -0.212 120.007 120.200 0.030 0.000 2.107 1080 E HA -0.092 4.258 4.350 0.000 0.000 0.191 1080 E C 2.308 178.946 176.600 0.064 0.000 0.982 1080 E CA 0.888 57.311 56.400 0.038 0.000 0.809 1080 E CB -0.131 29.568 29.700 -0.001 0.000 0.756 1080 E HN 0.294 nan 8.360 nan 0.000 0.459 1081 L N 0.671 121.958 121.223 0.106 0.000 2.046 1081 L HA -0.197 4.143 4.340 0.000 0.000 0.208 1081 L C 2.582 179.557 176.870 0.176 0.000 1.077 1081 L CA 1.040 55.976 54.840 0.159 0.000 0.747 1081 L CB -0.440 41.790 42.059 0.284 0.000 0.896 1081 L HN 0.153 nan 8.230 nan 0.000 0.432 1082 A N -0.644 122.326 122.820 0.250 0.000 1.902 1082 A HA -0.253 4.067 4.320 0.000 0.000 0.217 1082 A C 2.204 179.853 177.584 0.108 0.000 1.181 1082 A CA 1.495 53.661 52.037 0.214 0.000 0.623 1082 A CB -0.462 18.658 19.000 0.200 0.000 0.818 1082 A HN 0.470 nan 8.150 nan 0.000 0.443 1083 Q N -0.666 119.186 119.800 0.086 0.000 2.181 1083 Q HA -0.090 4.250 4.340 0.000 0.000 0.205 1083 Q C 1.591 177.618 176.000 0.045 0.000 0.980 1083 Q CA 1.333 57.171 55.803 0.058 0.000 0.862 1083 Q CB -0.269 28.501 28.738 0.053 0.000 0.905 1083 Q HN 0.694 nan 8.270 nan 0.000 0.429 1084 L N -1.491 119.759 121.223 0.046 0.000 2.591 1084 L HA 0.157 4.497 4.340 0.000 0.000 0.228 1084 L C 1.178 178.058 176.870 0.017 0.000 1.133 1084 L CA 0.499 55.355 54.840 0.028 0.000 0.880 1084 L CB 0.342 42.416 42.059 0.025 0.000 1.033 1084 L HN 0.391 nan 8.230 nan 0.000 0.450 1085 G N -0.556 108.257 108.800 0.022 0.000 2.229 1085 G HA2 -0.168 3.792 3.960 0.000 0.000 0.189 1085 G HA3 -0.168 3.792 3.960 0.000 0.000 0.189 1085 G C 0.220 175.105 174.900 -0.025 0.000 1.000 1085 G CA -0.729 44.373 45.100 0.004 0.000 0.663 1085 G HN 0.041 nan 8.290 nan 0.000 0.493 1086 I N 1.395 121.936 120.570 -0.048 0.000 2.618 1086 I HA 0.291 4.461 4.170 0.000 0.000 0.284 1086 I C 1.306 177.323 176.117 -0.167 0.000 1.146 1086 I CA 0.358 61.540 61.300 -0.197 0.000 1.425 1086 I CB 0.923 38.694 38.000 -0.383 0.000 1.383 1086 I HN 0.118 nan 8.210 nan 0.000 0.562 1087 R N 2.985 123.362 120.500 -0.205 0.000 2.469 1087 R HA 0.200 4.540 4.340 0.000 0.000 0.250 1087 R C -0.218 176.043 176.300 -0.065 0.000 0.909 1087 R CA 0.175 56.243 56.100 -0.053 0.000 1.050 1087 R CB 0.667 30.959 30.300 -0.013 0.000 1.256 1087 R HN 0.532 nan 8.270 nan 0.000 0.550 1088 T N 1.135 115.523 114.554 -0.277 0.000 2.881 1088 T HA 0.573 4.923 4.350 0.000 0.000 0.290 1088 T C -1.062 173.413 174.700 -0.375 0.000 1.000 1088 T CA -0.290 61.714 62.100 -0.160 0.000 0.978 1088 T CB 1.327 70.136 68.868 -0.099 0.000 0.997 1088 T HN -0.145 nan 8.240 nan 0.000 0.443 1089 F N 2.704 122.652 119.950 -0.004 0.000 2.477 1089 F HA 0.568 5.095 4.527 0.000 0.000 0.335 1089 F C -0.250 175.548 175.800 -0.003 0.000 1.130 1089 F CA -1.013 56.985 58.000 -0.003 0.000 0.948 1089 F CB 1.335 40.329 39.000 -0.010 0.000 1.154 1089 F HN 0.183 nan 8.300 nan 0.000 0.439 1090 L N 4.171 125.472 121.223 0.129 0.000 2.319 1090 L HA 0.540 4.880 4.340 0.000 0.000 0.281 1090 L C -0.190 176.729 176.870 0.083 0.000 1.005 1090 L CA -0.770 54.117 54.840 0.080 0.000 0.828 1090 L CB 1.845 43.923 42.059 0.031 0.000 1.227 1090 L HN 0.569 nan 8.230 nan 0.000 0.415 1091 R N 3.344 123.888 120.500 0.073 0.000 2.297 1091 R HA 0.568 4.908 4.340 0.000 0.000 0.308 1091 R C -0.986 175.337 176.300 0.037 0.000 1.029 1091 R CA -0.418 55.717 56.100 0.058 0.000 0.929 1091 R CB 1.202 31.530 30.300 0.048 0.000 1.046 1091 R HN 0.535 nan 8.270 nan 0.000 0.461 1092 I N 3.767 124.357 120.570 0.033 0.000 2.418 1092 I HA 0.695 4.865 4.170 0.000 0.000 0.287 1092 I C -0.731 175.399 176.117 0.020 0.000 1.008 1092 I CA -0.140 61.173 61.300 0.022 0.000 1.104 1092 I CB 1.816 39.825 38.000 0.016 0.000 1.264 1092 I HN 0.747 nan 8.210 nan 0.000 0.438 1093 G N 3.995 112.806 108.800 0.019 0.000 2.766 1093 G HA2 0.693 4.653 3.960 0.000 0.000 0.288 1093 G HA3 0.693 4.653 3.960 0.000 0.000 0.288 1093 G C -1.166 173.744 174.900 0.017 0.000 1.408 1093 G CA -0.310 44.800 45.100 0.018 0.000 0.852 1093 G HN 0.672 nan 8.290 nan 0.000 0.487 1094 T N -2.686 111.879 114.554 0.019 0.000 2.918 1094 T HA 0.757 5.107 4.350 0.000 0.000 0.286 1094 T C -0.336 174.381 174.700 0.029 0.000 1.026 1094 T CA -0.586 61.527 62.100 0.021 0.000 1.031 1094 T CB 2.072 70.952 68.868 0.020 0.000 1.046 1094 T HN 0.914 nan 8.240 nan 0.000 0.479 1095 T N -0.126 114.443 114.554 0.025 0.000 2.821 1095 T HA 0.682 5.032 4.350 0.000 0.000 0.306 1095 T C -0.689 174.021 174.700 0.016 0.000 1.313 1095 T CA -0.422 61.693 62.100 0.025 0.000 1.012 1095 T CB 1.402 70.278 68.868 0.013 0.000 1.298 1095 T HN 1.177 nan 8.240 nan 0.000 0.502 1096 G N 1.390 110.200 108.800 0.016 0.000 2.422 1096 G HA2 0.663 4.623 3.960 0.000 0.000 0.317 1096 G HA3 0.663 4.623 3.960 0.000 0.000 0.317 1096 G C -0.067 174.827 174.900 -0.009 0.000 1.210 1096 G CA -0.211 44.891 45.100 0.004 0.000 0.930 1096 G HN 0.978 nan 8.290 nan 0.000 0.468 1097 A N 2.180 124.973 122.820 -0.044 0.000 2.407 1097 A HA 0.545 4.865 4.320 0.000 0.000 0.248 1097 A C 1.119 178.657 177.584 -0.077 0.000 1.082 1097 A CA -0.371 51.610 52.037 -0.093 0.000 0.785 1097 A CB 0.240 19.154 19.000 -0.143 0.000 1.020 1097 A HN 1.292 nan 8.150 nan 0.000 0.489 1098 I N -2.234 118.271 120.570 -0.109 0.000 4.154 1098 I HA 0.244 4.414 4.170 0.000 0.000 0.334 1098 I C -0.284 175.788 176.117 -0.075 0.000 1.371 1098 I CA -0.296 60.962 61.300 -0.070 0.000 1.110 1098 I CB 0.195 38.143 38.000 -0.086 0.000 1.085 1098 I HN 0.335 nan 8.210 nan 0.000 0.398 1099 Q N 2.971 122.685 119.800 -0.143 0.000 2.271 1099 Q HA 0.384 4.724 4.340 0.000 0.000 0.258 1099 Q C -1.852 174.042 176.000 -0.176 0.000 0.936 1099 Q CA -2.074 53.639 55.803 -0.149 0.000 0.909 1099 Q CB 1.939 30.511 28.738 -0.276 0.000 1.253 1099 Q HN 0.065 nan 8.270 nan 0.000 0.440 1100 P HA -0.148 nan 4.420 nan 0.000 0.226 1100 P C 0.766 178.060 177.300 -0.011 0.000 1.153 1100 P CA 1.326 64.416 63.100 -0.016 0.000 0.777 1100 P CB 0.151 31.875 31.700 0.039 0.000 0.794 1101 H N -1.133 117.910 119.070 -0.045 0.000 2.548 1101 H HA 0.206 4.762 4.556 0.000 0.000 0.268 1101 H C 0.641 175.930 175.328 -0.065 0.000 0.975 1101 H CA -0.232 55.798 56.048 -0.029 0.000 1.195 1101 H CB -0.591 29.169 29.762 -0.003 0.000 1.397 1101 H HN 0.125 nan 8.280 nan 0.000 0.572 1102 I N 2.634 122.865 120.570 -0.565 0.000 2.342 1102 I HA 0.105 4.275 4.170 0.000 0.000 0.291 1102 I C -0.302 175.707 176.117 -0.180 0.000 1.010 1102 I CA -0.283 60.725 61.300 -0.486 0.000 1.308 1102 I CB 0.975 38.571 38.000 -0.674 0.000 1.400 1102 I HN 0.134 nan 8.210 nan 0.000 0.488 1103 N N 3.982 122.651 118.700 -0.051 0.000 2.443 1103 N HA 0.393 5.133 4.740 0.000 0.000 0.293 1103 N C -0.915 174.587 175.510 -0.013 0.000 1.159 1103 N CA -0.858 52.181 53.050 -0.017 0.000 0.904 1103 N CB 1.916 40.414 38.487 0.018 0.000 1.214 1103 N HN 0.215 nan 8.380 nan 0.000 0.513 1104 V N 1.381 121.285 119.914 -0.017 0.000 2.509 1104 V HA 0.196 4.316 4.120 0.000 0.000 0.297 1104 V C 1.425 177.507 176.094 -0.020 0.000 1.014 1104 V CA 1.317 63.607 62.300 -0.017 0.000 1.127 1104 V CB -0.216 31.597 31.823 -0.017 0.000 0.925 1104 V HN 1.112 nan 8.190 nan 0.000 0.480 1105 G N 3.639 112.424 108.800 -0.024 0.000 2.238 1105 G HA2 -0.171 3.789 3.960 0.000 0.000 0.217 1105 G HA3 -0.171 3.789 3.960 0.000 0.000 0.217 1105 G C -0.097 174.798 174.900 -0.009 0.000 0.996 1105 G CA -0.061 45.008 45.100 -0.051 0.000 0.632 1105 G HN 0.671 nan 8.290 nan 0.000 0.503 1106 D N 0.233 120.656 120.400 0.038 0.000 2.357 1106 D HA 0.512 5.152 4.640 0.000 0.000 0.242 1106 D C 0.393 176.753 176.300 0.099 0.000 1.153 1106 D CA 0.073 54.133 54.000 0.101 0.000 0.918 1106 D CB 1.774 42.689 40.800 0.192 0.000 1.181 1106 D HN 0.208 nan 8.370 nan 0.000 0.435 1107 V N 2.045 122.028 119.914 0.115 0.000 2.459 1107 V HA 0.346 4.466 4.120 0.000 0.000 0.295 1107 V C -0.119 176.036 176.094 0.101 0.000 1.029 1107 V CA -0.739 61.614 62.300 0.089 0.000 0.874 1107 V CB 1.308 33.175 31.823 0.073 0.000 0.985 1107 V HN 0.284 nan 8.190 nan 0.000 0.438 1108 L N 5.393 126.661 121.223 0.075 0.000 2.296 1108 L HA 0.639 4.979 4.340 0.000 0.000 0.286 1108 L C -0.633 176.262 176.870 0.042 0.000 1.023 1108 L CA -0.790 54.093 54.840 0.072 0.000 0.812 1108 L CB 1.856 43.941 42.059 0.042 0.000 1.223 1108 L HN 0.316 nan 8.230 nan 0.000 0.421 1109 V N 1.833 121.771 119.914 0.040 0.000 2.398 1109 V HA 0.301 4.421 4.120 0.000 0.000 0.286 1109 V C 0.284 176.391 176.094 0.021 0.000 1.026 1109 V CA -0.402 61.910 62.300 0.021 0.000 0.868 1109 V CB 1.706 33.533 31.823 0.007 0.000 0.982 1109 V HN 0.733 nan 8.190 nan 0.000 0.443 1110 T N 3.446 118.008 114.554 0.013 0.000 2.743 1110 T HA 0.204 4.554 4.350 0.000 0.000 0.293 1110 T C 1.331 176.040 174.700 0.015 0.000 0.945 1110 T CA 0.206 62.311 62.100 0.009 0.000 1.030 1110 T CB 1.215 70.084 68.868 0.001 0.000 0.912 1110 T HN 0.977 nan 8.240 nan 0.000 0.483 1111 T N 0.816 115.382 114.554 0.020 0.000 2.937 1111 T HA 0.456 4.806 4.350 0.000 0.000 0.260 1111 T C 0.719 175.435 174.700 0.027 0.000 1.051 1111 T CA 0.302 62.421 62.100 0.032 0.000 1.141 1111 T CB 0.155 69.048 68.868 0.042 0.000 0.879 1111 T HN 0.752 nan 8.240 nan 0.000 0.459 1112 A N -0.067 122.760 122.820 0.011 0.000 2.597 1112 A HA 0.662 4.982 4.320 0.000 0.000 0.292 1112 A C -1.032 176.542 177.584 -0.017 0.000 1.057 1112 A CA -0.841 51.199 52.037 0.005 0.000 0.674 1112 A CB 1.237 20.239 19.000 0.004 0.000 1.278 1112 A HN 0.201 nan 8.150 nan 0.000 0.416 1113 S N -0.115 115.573 115.700 -0.020 0.000 2.503 1113 S HA 0.584 5.054 4.470 0.000 0.000 0.301 1113 S C -0.265 174.290 174.600 -0.075 0.000 1.087 1113 S CA -0.562 57.606 58.200 -0.053 0.000 1.042 1113 S CB 1.656 64.834 63.200 -0.037 0.000 1.043 1113 S HN 0.914 nan 8.310 nan 0.000 0.489 1114 V N 3.454 123.271 119.914 -0.162 0.000 2.529 1114 V HA 0.142 4.262 4.120 0.000 0.000 0.292 1114 V C 0.641 176.653 176.094 -0.136 0.000 1.028 1114 V CA 0.141 62.304 62.300 -0.227 0.000 1.074 1114 V CB -0.201 31.281 31.823 -0.567 0.000 0.958 1114 V HN 0.698 nan 8.190 nan 0.000 0.481 1115 R N 5.329 125.804 120.500 -0.041 0.000 2.870 1115 R HA 0.341 4.681 4.340 0.000 0.000 0.254 1115 R C -0.007 176.336 176.300 0.071 0.000 1.392 1115 R CA -0.171 55.946 56.100 0.028 0.000 1.322 1115 R CB 0.112 30.454 30.300 0.071 0.000 1.205 1115 R HN 0.671 nan 8.270 nan 0.000 0.597 1116 L N 2.326 123.594 121.223 0.074 0.000 2.851 1116 L HA 0.141 4.481 4.340 0.000 0.000 0.237 1116 L C 0.233 177.198 176.870 0.157 0.000 1.257 1116 L CA -0.210 54.743 54.840 0.189 0.000 1.061 1116 L CB -0.679 41.523 42.059 0.237 0.000 1.372 1116 L HN 0.509 nan 8.230 nan 0.000 0.493 1117 D N -1.417 119.050 120.400 0.111 0.000 2.497 1117 D HA 0.285 4.926 4.640 0.000 0.000 0.243 1117 D C 0.739 177.090 176.300 0.085 0.000 1.039 1117 D CA -0.393 53.655 54.000 0.080 0.000 1.052 1117 D CB 1.979 42.809 40.800 0.050 0.000 1.344 1117 D HN -0.063 nan 8.370 nan 0.000 0.553 1118 G N -0.865 107.965 108.800 0.050 0.000 2.608 1118 G HA2 0.187 4.148 3.960 0.000 0.000 0.210 1118 G HA3 0.187 4.148 3.960 0.000 0.000 0.210 1118 G C 1.312 176.199 174.900 -0.022 0.000 1.139 1118 G CA 0.633 45.760 45.100 0.045 0.000 0.812 1118 G HN 0.612 nan 8.290 nan 0.000 0.529 1119 A N 1.687 124.452 122.820 -0.091 0.000 1.969 1119 A HA 0.009 4.329 4.320 0.000 0.000 0.218 1119 A C 2.682 180.328 177.584 0.103 0.000 1.169 1119 A CA 2.321 54.252 52.037 -0.176 0.000 0.635 1119 A CB -0.650 18.315 19.000 -0.059 0.000 0.810 1119 A HN 0.662 nan 8.150 nan 0.000 0.445 1120 S N 0.368 116.164 115.700 0.161 0.000 2.399 1120 S HA -0.121 4.349 4.470 0.000 0.000 0.231 1120 S C 1.754 176.502 174.600 0.247 0.000 1.022 1120 S CA 1.437 59.781 58.200 0.240 0.000 0.983 1120 S CB -0.816 62.469 63.200 0.141 0.000 0.803 1120 S HN 0.451 nan 8.310 nan 0.000 0.480 1121 L N 0.924 122.269 121.223 0.204 0.000 2.261 1121 L HA -0.082 4.258 4.340 0.000 0.000 0.216 1121 L C 2.424 179.386 176.870 0.153 0.000 1.114 1121 L CA 1.294 56.242 54.840 0.181 0.000 0.777 1121 L CB -0.801 41.364 42.059 0.177 0.000 0.910 1121 L HN 0.517 nan 8.230 nan 0.000 0.440 1122 H N -1.907 117.101 119.070 -0.105 0.000 2.551 1122 H HA 0.006 4.562 4.556 0.000 0.000 0.266 1122 H C 1.366 176.350 175.328 -0.574 0.000 0.977 1122 H CA 0.555 56.395 56.048 -0.346 0.000 1.163 1122 H CB 0.382 29.864 29.762 -0.468 0.000 1.381 1122 H HN 0.347 nan 8.280 nan 0.000 0.581 1123 F N -0.158 119.814 119.950 0.037 0.000 2.619 1123 F HA 0.416 4.943 4.527 0.000 0.000 0.281 1123 F C 0.941 176.650 175.800 -0.152 0.000 1.065 1123 F CA 0.010 57.972 58.000 -0.064 0.000 1.304 1123 F CB 0.877 39.822 39.000 -0.092 0.000 1.059 1123 F HN -0.050 nan 8.300 nan 0.000 0.648 1124 A N 0.410 123.247 122.820 0.029 0.000 2.549 1124 A HA 0.659 4.979 4.320 0.000 0.000 0.297 1124 A C -2.735 174.867 177.584 0.031 0.000 1.061 1124 A CA -1.525 50.454 52.037 -0.097 0.000 0.690 1124 A CB 0.755 19.482 19.000 -0.455 0.000 1.287 1124 A HN -0.172 nan 8.150 nan 0.000 0.402 1125 P HA 0.115 nan 4.420 nan 0.000 0.273 1125 P C 0.822 178.203 177.300 0.135 0.000 1.250 1125 P CA -0.349 62.802 63.100 0.085 0.000 0.793 1125 P CB 0.636 32.381 31.700 0.076 0.000 1.011 1126 L N 1.103 122.395 121.223 0.114 0.000 2.127 1126 L HA -0.182 4.158 4.340 0.000 0.000 0.211 1126 L C 2.203 179.156 176.870 0.138 0.000 1.089 1126 L CA 1.857 56.771 54.840 0.123 0.000 0.757 1126 L CB -1.410 40.708 42.059 0.098 0.000 0.899 1126 L HN 0.450 nan 8.230 nan 0.000 0.434 1127 E N -1.237 119.043 120.200 0.133 0.000 2.418 1127 E HA -0.231 4.119 4.350 0.000 0.000 0.197 1127 E C 0.746 177.423 176.600 0.129 0.000 1.026 1127 E CA 0.034 56.501 56.400 0.111 0.000 0.862 1127 E CB -0.700 29.052 29.700 0.087 0.000 0.799 1127 E HN 0.432 nan 8.360 nan 0.000 0.518 1128 F N 4.275 124.249 119.950 0.041 0.000 2.456 1128 F HA 0.225 4.752 4.527 0.000 0.000 0.358 1128 F C -2.012 173.809 175.800 0.036 0.000 1.095 1128 F CA -2.660 55.363 58.000 0.039 0.000 1.216 1128 F CB 0.789 39.817 39.000 0.047 0.000 1.125 1128 F HN -0.180 nan 8.300 nan 0.000 0.549 1129 P HA 0.097 nan 4.420 nan 0.000 0.276 1129 P C -1.072 176.285 177.300 0.094 0.000 1.243 1129 P CA -0.293 62.755 63.100 -0.086 0.000 0.768 1129 P CB 1.175 32.744 31.700 -0.219 0.000 0.856 1130 A N 4.249 127.142 122.820 0.123 0.000 3.030 1130 A HA 0.215 4.536 4.320 0.000 0.000 0.273 1130 A C 0.329 177.955 177.584 0.071 0.000 1.841 1130 A CA -0.227 51.884 52.037 0.125 0.000 1.479 1130 A CB -1.010 18.036 19.000 0.077 0.000 1.048 1130 A HN 0.478 nan 8.150 nan 0.000 0.612 1131 V N 1.885 121.845 119.914 0.077 0.000 2.472 1131 V HA 0.680 4.800 4.120 0.000 0.000 0.290 1131 V C 0.641 176.774 176.094 0.064 0.000 1.037 1131 V CA -0.220 62.107 62.300 0.045 0.000 0.908 1131 V CB 1.358 33.184 31.823 0.005 0.000 0.985 1131 V HN 0.904 nan 8.190 nan 0.000 0.454 1132 A N 4.283 127.137 122.820 0.056 0.000 2.351 1132 A HA 0.369 4.689 4.320 0.000 0.000 0.257 1132 A C 0.099 177.734 177.584 0.085 0.000 1.087 1132 A CA -0.193 51.880 52.037 0.060 0.000 0.798 1132 A CB 0.122 19.148 19.000 0.044 0.000 1.033 1132 A HN 1.032 nan 8.150 nan 0.000 0.488 1133 D N 0.237 120.688 120.400 0.084 0.000 2.455 1133 D HA 0.087 4.727 4.640 0.000 0.000 0.241 1133 D C 0.705 177.078 176.300 0.121 0.000 1.138 1133 D CA 0.095 54.160 54.000 0.108 0.000 0.877 1133 D CB 0.139 40.992 40.800 0.089 0.000 1.187 1133 D HN 0.416 nan 8.370 nan 0.000 0.451 1134 F N 2.866 122.827 119.950 0.019 0.000 2.134 1134 F HA -0.107 4.420 4.527 0.000 0.000 0.299 1134 F C 1.857 177.664 175.800 0.012 0.000 1.097 1134 F CA 1.360 59.368 58.000 0.013 0.000 1.264 1134 F CB 0.138 39.143 39.000 0.009 0.000 1.001 1134 F HN 0.534 nan 8.300 nan 0.000 0.479 1135 E N -0.532 119.644 120.200 -0.040 0.000 2.072 1135 E HA -0.217 4.133 4.350 0.000 0.000 0.191 1135 E C 2.328 178.837 176.600 -0.151 0.000 0.985 1135 E CA 1.486 57.803 56.400 -0.138 0.000 0.801 1135 E CB -0.402 29.299 29.700 0.002 0.000 0.750 1135 E HN 0.450 nan 8.360 nan 0.000 0.452 1136 C N 0.327 119.583 119.300 -0.072 0.000 2.432 1136 C HA -0.115 4.345 4.460 0.000 0.000 0.277 1136 C C 2.845 177.782 174.990 -0.089 0.000 1.249 1136 C CA 1.169 60.155 59.018 -0.054 0.000 1.725 1136 C CB -0.962 26.777 27.740 -0.001 0.000 2.028 1136 C HN 0.516 nan 8.230 nan 0.000 0.477 1137 T N 0.692 115.181 114.554 -0.109 0.000 2.684 1137 T HA -0.188 4.162 4.350 0.000 0.000 0.267 1137 T C 1.781 176.366 174.700 -0.192 0.000 1.036 1137 T CA 2.284 64.312 62.100 -0.121 0.000 1.148 1137 T CB -0.618 68.196 68.868 -0.089 0.000 0.863 1137 T HN 0.604 nan 8.240 nan 0.000 0.436 1138 T N 2.090 116.432 114.554 -0.352 0.000 2.652 1138 T HA -0.108 4.242 4.350 0.000 0.000 0.267 1138 T C 2.399 176.985 174.700 -0.190 0.000 1.039 1138 T CA 1.370 63.261 62.100 -0.349 0.000 1.153 1138 T CB -0.709 67.831 68.868 -0.547 0.000 0.863 1138 T HN 0.454 nan 8.240 nan 0.000 0.428 1139 A N 0.964 123.690 122.820 -0.157 0.000 1.940 1139 A HA -0.049 4.271 4.320 0.000 0.000 0.219 1139 A C 2.334 179.872 177.584 -0.076 0.000 1.176 1139 A CA 1.378 53.357 52.037 -0.097 0.000 0.631 1139 A CB -0.889 18.066 19.000 -0.075 0.000 0.814 1139 A HN 0.487 nan 8.150 nan 0.000 0.446 1140 L N -0.863 120.316 121.223 -0.074 0.000 2.056 1140 L HA -0.137 4.203 4.340 0.000 0.000 0.207 1140 L C 2.539 179.378 176.870 -0.053 0.000 1.078 1140 L CA 1.010 55.819 54.840 -0.052 0.000 0.749 1140 L CB -0.448 41.587 42.059 -0.039 0.000 0.901 1140 L HN 0.249 nan 8.230 nan 0.000 0.433 1141 V N -0.287 119.588 119.914 -0.066 0.000 2.343 1141 V HA -0.261 3.859 4.120 0.000 0.000 0.247 1141 V C 2.328 178.388 176.094 -0.057 0.000 1.051 1141 V CA 1.741 64.007 62.300 -0.057 0.000 1.036 1141 V CB -0.428 31.357 31.823 -0.063 0.000 0.654 1141 V HN 0.452 nan 8.190 nan 0.000 0.451 1142 E N 0.030 120.190 120.200 -0.066 0.000 2.152 1142 E HA -0.114 4.236 4.350 0.000 0.000 0.192 1142 E C 2.325 178.894 176.600 -0.052 0.000 0.983 1142 E CA 1.097 57.463 56.400 -0.057 0.000 0.818 1142 E CB -0.243 29.420 29.700 -0.061 0.000 0.758 1142 E HN 0.599 nan 8.360 nan 0.000 0.467 1143 A N 1.601 124.389 122.820 -0.053 0.000 1.898 1143 A HA -0.091 4.229 4.320 0.000 0.000 0.216 1143 A C 2.403 179.953 177.584 -0.058 0.000 1.181 1143 A CA 1.569 53.575 52.037 -0.052 0.000 0.620 1143 A CB -0.580 18.391 19.000 -0.048 0.000 0.819 1143 A HN 0.283 nan 8.150 nan 0.000 0.442 1144 A N -0.250 122.539 122.820 -0.053 0.000 1.883 1144 A HA -0.205 4.115 4.320 0.000 0.000 0.217 1144 A C 2.100 179.649 177.584 -0.058 0.000 1.186 1144 A CA 2.273 54.278 52.037 -0.054 0.000 0.624 1144 A CB -0.474 18.503 19.000 -0.037 0.000 0.822 1144 A HN 0.465 nan 8.150 nan 0.000 0.444 1145 K N 0.151 120.521 120.400 -0.050 0.000 2.103 1145 K HA -0.135 4.185 4.320 0.000 0.000 0.207 1145 K C 2.352 178.924 176.600 -0.048 0.000 1.048 1145 K CA 1.631 57.891 56.287 -0.045 0.000 0.930 1145 K CB -0.223 32.253 32.500 -0.039 0.000 0.716 1145 K HN 0.610 nan 8.250 nan 0.000 0.444 1146 S N 0.267 115.936 115.700 -0.052 0.000 2.453 1146 S HA -0.105 4.365 4.470 0.000 0.000 0.231 1146 S C 1.682 176.244 174.600 -0.063 0.000 1.005 1146 S CA 1.026 59.195 58.200 -0.051 0.000 0.949 1146 S CB -0.402 62.769 63.200 -0.047 0.000 0.774 1146 S HN 0.432 nan 8.310 nan 0.000 0.510 1147 I N -2.735 117.782 120.570 -0.088 0.000 4.018 1147 I HA 0.608 4.778 4.170 0.000 0.000 0.337 1147 I C 1.223 177.261 176.117 -0.132 0.000 1.327 1147 I CA 0.276 61.501 61.300 -0.125 0.000 1.100 1147 I CB 0.077 37.967 38.000 -0.184 0.000 1.025 1147 I HN 0.254 nan 8.210 nan 0.000 0.396 1148 G N 1.456 110.205 108.800 -0.085 0.000 2.147 1148 G HA2 -0.186 3.774 3.960 0.000 0.000 0.244 1148 G HA3 -0.186 3.774 3.960 0.000 0.000 0.244 1148 G C 0.406 175.292 174.900 -0.023 0.000 1.005 1148 G CA 0.037 45.108 45.100 -0.049 0.000 0.713 1148 G HN 0.996 nan 8.290 nan 0.000 0.515 1149 A N 0.290 123.088 122.820 -0.037 0.000 2.425 1149 A HA 0.717 5.037 4.320 0.000 0.000 0.249 1149 A C 1.066 178.666 177.584 0.026 0.000 1.084 1149 A CA 0.960 53.032 52.037 0.060 0.000 0.781 1149 A CB 0.344 19.398 19.000 0.091 0.000 1.019 1149 A HN 1.897 nan 8.150 nan 0.000 0.490 1150 T N 0.884 115.460 114.554 0.036 0.000 2.799 1150 T HA 0.474 4.824 4.350 0.000 0.000 0.296 1150 T C 0.062 174.705 174.700 -0.095 0.000 0.947 1150 T CA 0.119 62.196 62.100 -0.039 0.000 1.141 1150 T CB -0.167 68.691 68.868 -0.017 0.000 0.891 1150 T HN 0.546 nan 8.240 nan 0.000 0.533 1151 T N 4.717 119.145 114.554 -0.210 0.000 2.863 1151 T HA 0.437 4.787 4.350 0.000 0.000 0.285 1151 T C -0.820 173.645 174.700 -0.390 0.000 1.009 1151 T CA -0.763 61.225 62.100 -0.185 0.000 0.989 1151 T CB 0.946 69.763 68.868 -0.085 0.000 1.004 1151 T HN 0.738 nan 8.240 nan 0.000 0.455 1152 H N 0.885 119.969 119.070 0.023 0.000 2.538 1152 H HA 0.586 5.142 4.556 0.000 0.000 0.353 1152 H C -1.002 174.338 175.328 0.020 0.000 1.109 1152 H CA -0.616 55.451 56.048 0.032 0.000 1.192 1152 H CB 1.916 31.697 29.762 0.033 0.000 1.555 1152 H HN 0.252 nan 8.280 nan 0.000 0.518 1153 V N 2.234 122.223 119.914 0.125 0.000 2.409 1153 V HA 0.679 4.799 4.120 0.000 0.000 0.291 1153 V C 0.497 176.635 176.094 0.074 0.000 1.020 1153 V CA -0.191 62.153 62.300 0.073 0.000 0.848 1153 V CB 1.296 33.144 31.823 0.042 0.000 0.990 1153 V HN 1.117 nan 8.190 nan 0.000 0.430 1154 G N 3.334 112.166 108.800 0.052 0.000 2.399 1154 G HA2 0.378 4.338 3.960 0.000 0.000 0.256 1154 G HA3 0.378 4.338 3.960 0.000 0.000 0.256 1154 G C -1.448 173.461 174.900 0.014 0.000 1.236 1154 G CA -0.396 44.728 45.100 0.040 0.000 0.914 1154 G HN 0.507 nan 8.290 nan 0.000 0.482 1155 V N 0.791 120.704 119.914 -0.001 0.000 2.509 1155 V HA 0.653 4.773 4.120 0.000 0.000 0.284 1155 V C 0.294 176.346 176.094 -0.071 0.000 1.047 1155 V CA -0.103 62.178 62.300 -0.032 0.000 0.952 1155 V CB 1.329 33.133 31.823 -0.031 0.000 0.988 1155 V HN 0.766 nan 8.190 nan 0.000 0.469 1156 T N 3.494 117.993 114.554 -0.092 0.000 2.856 1156 T HA 0.651 5.001 4.350 0.000 0.000 0.283 1156 T C -0.075 174.506 174.700 -0.197 0.000 1.008 1156 T CA -0.281 61.742 62.100 -0.128 0.000 0.997 1156 T CB 1.636 70.459 68.868 -0.073 0.000 0.992 1156 T HN 0.915 nan 8.240 nan 0.000 0.454 1157 A N 2.246 124.892 122.820 -0.290 0.000 2.276 1157 A HA 0.614 4.934 4.320 0.000 0.000 0.300 1157 A C 0.347 177.876 177.584 -0.091 0.000 1.235 1157 A CA -0.440 51.386 52.037 -0.353 0.000 0.867 1157 A CB 0.373 18.969 19.000 -0.674 0.000 1.137 1157 A HN 0.628 nan 8.150 nan 0.000 0.527 1158 S N 2.169 117.825 115.700 -0.073 0.000 2.520 1158 S HA 0.511 4.981 4.470 0.000 0.000 0.324 1158 S C -0.109 174.504 174.600 0.020 0.000 1.069 1158 S CA -0.314 57.883 58.200 -0.005 0.000 1.121 1158 S CB 0.292 63.483 63.200 -0.015 0.000 0.971 1158 S HN 1.027 nan 8.310 nan 0.000 0.463 1159 S N 3.417 119.132 115.700 0.024 0.000 2.475 1159 S HA 0.357 4.827 4.470 0.000 0.000 0.298 1159 S C 0.478 175.063 174.600 -0.026 0.000 1.119 1159 S CA -0.612 57.581 58.200 -0.012 0.000 1.085 1159 S CB 1.206 64.335 63.200 -0.117 0.000 1.028 1159 S HN 0.685 nan 8.310 nan 0.000 0.489 1160 D N 2.207 122.599 120.400 -0.014 0.000 2.378 1160 D HA 0.080 4.720 4.640 0.000 0.000 0.222 1160 D C 0.787 177.071 176.300 -0.025 0.000 0.980 1160 D CA 0.954 54.950 54.000 -0.007 0.000 0.907 1160 D CB 0.117 40.929 40.800 0.019 0.000 0.899 1160 D HN 0.745 nan 8.370 nan 0.000 0.527 1161 T N -4.030 110.476 114.554 -0.079 0.000 2.906 1161 T HA 0.298 4.648 4.350 0.000 0.000 0.295 1161 T C 0.459 175.111 174.700 -0.080 0.000 1.075 1161 T CA -0.904 61.167 62.100 -0.048 0.000 1.005 1161 T CB 1.232 70.058 68.868 -0.070 0.000 1.136 1161 T HN -0.110 nan 8.240 nan 0.000 0.498 1162 F N -0.007 119.821 119.950 -0.203 0.000 2.473 1162 F HA 0.223 4.750 4.527 0.000 0.000 0.294 1162 F C 0.937 176.425 175.800 -0.521 0.000 1.103 1162 F CA 0.603 58.370 58.000 -0.388 0.000 1.442 1162 F CB -0.030 38.691 39.000 -0.465 0.000 1.097 1162 F HN 0.675 nan 8.300 nan 0.000 0.547 1163 Y N 0.803 121.071 120.300 -0.053 0.000 2.344 1163 Y HA 0.156 4.706 4.550 0.000 0.000 0.261 1163 Y C -0.429 175.300 175.900 -0.285 0.000 1.080 1163 Y CA 0.443 58.460 58.100 -0.139 0.000 1.151 1163 Y CB -1.950 36.513 38.460 0.005 0.000 1.059 1163 Y HN -0.223 nan 8.280 nan 0.000 0.490 1164 P HA -0.115 nan 4.420 nan 0.000 0.216 1164 P C 1.487 178.510 177.300 -0.462 0.000 1.153 1164 P CA 2.263 65.224 63.100 -0.232 0.000 0.848 1164 P CB -0.271 31.342 31.700 -0.145 0.000 0.787 1165 G N -0.263 108.160 108.800 -0.628 0.000 2.509 1165 G HA2 -0.192 3.768 3.960 0.000 0.000 0.218 1165 G HA3 -0.192 3.768 3.960 0.000 0.000 0.218 1165 G C 1.294 175.779 174.900 -0.692 0.000 1.124 1165 G CA 0.257 44.744 45.100 -1.022 0.000 0.776 1165 G HN 0.378 nan 8.290 nan 0.000 0.547 1166 Q N -0.457 118.913 119.800 -0.717 0.000 2.189 1166 Q HA 0.214 4.554 4.340 0.000 0.000 0.221 1166 Q C -0.070 175.602 176.000 -0.547 0.000 0.848 1166 Q CA -0.325 54.816 55.803 -1.104 0.000 1.007 1166 Q CB 0.433 28.410 28.738 -1.268 0.000 1.116 1166 Q HN 0.540 nan 8.270 nan 0.000 0.481 1167 E N 1.698 121.701 120.200 -0.328 0.000 2.199 1167 E HA -0.248 4.102 4.350 0.000 0.000 0.208 1167 E C -0.887 175.544 176.600 -0.281 0.000 1.310 1167 E CA 0.223 56.476 56.400 -0.244 0.000 0.709 1167 E CB -0.331 29.373 29.700 0.006 0.000 1.127 1167 E HN 0.343 nan 8.360 nan 0.000 0.354 1168 R N 0.228 120.544 120.500 -0.306 0.000 2.254 1168 R HA 0.184 4.524 4.340 0.000 0.000 0.318 1168 R C 0.268 176.438 176.300 -0.216 0.000 1.031 1168 R CA -0.183 55.827 56.100 -0.150 0.000 0.905 1168 R CB 0.506 30.774 30.300 -0.053 0.000 1.050 1168 R HN 0.218 nan 8.270 nan 0.000 0.456 1169 Y N -0.385 119.947 120.300 0.052 0.000 2.458 1169 Y HA 0.032 4.582 4.550 0.000 0.000 0.254 1169 Y C 0.643 176.571 175.900 0.047 0.000 1.120 1169 Y CA -0.102 58.024 58.100 0.044 0.000 1.282 1169 Y CB 0.471 38.947 38.460 0.027 0.000 1.109 1169 Y HN 0.499 nan 8.280 nan 0.000 0.526 1170 D N 1.519 122.035 120.400 0.192 0.000 2.558 1170 D HA 0.157 4.797 4.640 0.000 0.000 0.221 1170 D C -0.111 176.256 176.300 0.112 0.000 1.143 1170 D CA 0.163 54.249 54.000 0.143 0.000 1.010 1170 D CB -0.123 40.759 40.800 0.137 0.000 1.068 1170 D HN 0.239 nan 8.370 nan 0.000 0.511 1171 T N -1.424 113.161 114.554 0.053 0.000 2.778 1171 T HA 0.148 4.498 4.350 0.000 0.000 0.293 1171 T C 0.865 175.567 174.700 0.003 0.000 1.144 1171 T CA -0.838 61.243 62.100 -0.031 0.000 1.010 1171 T CB 0.335 69.163 68.868 -0.068 0.000 1.325 1171 T HN 0.149 nan 8.240 nan 0.000 0.515 1172 Y N 1.504 121.734 120.300 -0.117 0.000 2.128 1172 Y HA -0.160 4.390 4.550 0.000 0.000 0.284 1172 Y C 2.708 178.586 175.900 -0.036 0.000 1.154 1172 Y CA 2.699 60.755 58.100 -0.074 0.000 1.149 1172 Y CB -0.226 38.181 38.460 -0.089 0.000 0.976 1172 Y HN 0.747 nan 8.280 nan 0.000 0.505 1173 S N -1.101 114.499 115.700 -0.168 0.000 2.458 1173 S HA 0.167 4.637 4.470 0.000 0.000 0.223 1173 S C 1.776 176.313 174.600 -0.105 0.000 1.019 1173 S CA 0.545 58.617 58.200 -0.213 0.000 0.937 1173 S CB -0.319 62.852 63.200 -0.047 0.000 0.788 1173 S HN 0.990 nan 8.310 nan 0.000 0.511 1174 G N 2.034 110.818 108.800 -0.027 0.000 2.153 1174 G HA2 -0.305 3.655 3.960 0.000 0.000 0.252 1174 G HA3 -0.305 3.655 3.960 0.000 0.000 0.252 1174 G C -0.030 174.965 174.900 0.159 0.000 0.994 1174 G CA 0.439 45.576 45.100 0.062 0.000 0.698 1174 G HN 1.021 nan 8.290 nan 0.000 0.521 1175 R N -1.520 119.040 120.500 0.101 0.000 2.771 1175 R HA 0.774 5.115 4.340 0.000 0.000 0.274 1175 R C -1.373 174.945 176.300 0.030 0.000 0.987 1175 R CA -0.886 55.299 56.100 0.142 0.000 0.908 1175 R CB 1.938 32.294 30.300 0.094 0.000 1.213 1175 R HN 0.288 nan 8.270 nan 0.000 0.468 1176 V N 2.552 122.497 119.914 0.051 0.000 2.604 1176 V HA 0.291 4.411 4.120 0.000 0.000 0.305 1176 V C 0.163 176.317 176.094 0.100 0.000 1.043 1176 V CA -1.038 61.250 62.300 -0.021 0.000 0.888 1176 V CB 1.715 33.410 31.823 -0.213 0.000 0.995 1176 V HN 0.677 nan 8.190 nan 0.000 0.429 1177 V N 5.651 125.645 119.914 0.133 0.000 2.928 1177 V HA -0.001 4.120 4.120 0.000 0.000 0.307 1177 V C 1.939 178.142 176.094 0.181 0.000 1.105 1177 V CA 0.798 63.201 62.300 0.171 0.000 1.223 1177 V CB 0.768 32.723 31.823 0.221 0.000 0.930 1177 V HN 0.987 nan 8.190 nan 0.000 0.499 1178 R N 3.545 124.126 120.500 0.135 0.000 2.113 1178 R HA -0.273 4.067 4.340 0.000 0.000 0.244 1178 R C 1.962 178.313 176.300 0.086 0.000 1.142 1178 R CA 2.796 58.957 56.100 0.101 0.000 0.953 1178 R CB -0.667 29.679 30.300 0.077 0.000 0.860 1178 R HN 1.007 nan 8.270 nan 0.000 0.438 1179 H N -0.765 118.296 119.070 -0.015 0.000 2.390 1179 H HA -0.161 4.395 4.556 0.000 0.000 0.298 1179 H C 1.221 176.367 175.328 -0.302 0.000 1.106 1179 H CA 2.424 58.367 56.048 -0.174 0.000 1.297 1179 H CB -0.260 29.357 29.762 -0.242 0.000 1.375 1179 H HN 0.286 nan 8.280 nan 0.000 0.509 1180 F N -0.086 119.852 119.950 -0.019 0.000 2.727 1180 F HA 0.219 4.746 4.527 0.000 0.000 0.302 1180 F C 1.012 176.784 175.800 -0.046 0.000 1.097 1180 F CA -0.185 57.776 58.000 -0.066 0.000 1.330 1180 F CB 0.249 39.257 39.000 0.014 0.000 1.084 1180 F HN -0.138 nan 8.300 nan 0.000 0.578 1181 K N 0.556 121.022 120.400 0.109 0.000 2.436 1181 K HA 0.238 4.558 4.320 0.000 0.000 0.282 1181 K C 1.161 177.786 176.600 0.040 0.000 1.044 1181 K CA 0.929 57.289 56.287 0.121 0.000 1.028 1181 K CB 0.079 32.646 32.500 0.112 0.000 0.919 1181 K HN 0.368 nan 8.250 nan 0.000 0.474 1182 G N 2.180 111.025 108.800 0.074 0.000 2.148 1182 G HA2 -0.336 3.624 3.960 0.000 0.000 0.254 1182 G HA3 -0.336 3.624 3.960 0.000 0.000 0.254 1182 G C 0.785 175.622 174.900 -0.105 0.000 0.981 1182 G CA 0.854 45.950 45.100 -0.006 0.000 0.670 1182 G HN 0.725 nan 8.290 nan 0.000 0.528 1183 S N -0.795 114.848 115.700 -0.095 0.000 2.406 1183 S HA 0.069 4.539 4.470 0.000 0.000 0.228 1183 S C 2.266 176.657 174.600 -0.349 0.000 1.020 1183 S CA 1.560 59.575 58.200 -0.308 0.000 0.965 1183 S CB -0.230 62.925 63.200 -0.076 0.000 0.798 1183 S HN 0.766 nan 8.310 nan 0.000 0.488 1184 M N 1.624 121.260 119.600 0.060 0.000 2.117 1184 M HA -0.071 4.409 4.480 0.000 0.000 0.262 1184 M C 2.331 178.659 176.300 0.048 0.000 1.065 1184 M CA 2.060 57.492 55.300 0.219 0.000 1.114 1184 M CB -0.288 32.497 32.600 0.308 0.000 1.361 1184 M HN 0.500 nan 8.290 nan 0.000 0.408 1185 E N -0.001 120.192 120.200 -0.013 0.000 2.110 1185 E HA -0.238 4.112 4.350 0.000 0.000 0.193 1185 E C 1.827 178.369 176.600 -0.097 0.000 0.988 1185 E CA 1.379 57.759 56.400 -0.035 0.000 0.804 1185 E CB -0.047 29.634 29.700 -0.033 0.000 0.745 1185 E HN 0.581 nan 8.360 nan 0.000 0.458 1186 E N -0.163 119.890 120.200 -0.244 0.000 2.031 1186 E HA -0.188 4.162 4.350 0.000 0.000 0.193 1186 E C 1.877 178.363 176.600 -0.191 0.000 0.994 1186 E CA 1.385 57.590 56.400 -0.326 0.000 0.800 1186 E CB -0.318 29.038 29.700 -0.572 0.000 0.752 1186 E HN 0.501 nan 8.360 nan 0.000 0.447 1187 W N 1.325 122.618 121.300 -0.012 0.000 2.363 1187 W HA -0.185 4.475 4.660 0.000 0.000 0.296 1187 W C 2.589 179.070 176.519 -0.064 0.000 1.212 1187 W CA 0.264 57.578 57.345 -0.051 0.000 1.260 1187 W CB -0.331 29.061 29.460 -0.113 0.000 1.131 1187 W HN 0.197 nan 8.180 nan 0.000 0.530 1188 Q N 0.561 120.443 119.800 0.135 0.000 2.045 1188 Q HA -0.239 4.101 4.340 0.000 0.000 0.206 1188 Q C 2.491 178.525 176.000 0.056 0.000 0.991 1188 Q CA 2.416 58.258 55.803 0.066 0.000 0.851 1188 Q CB -0.573 28.189 28.738 0.040 0.000 0.911 1188 Q HN 0.304 nan 8.270 nan 0.000 0.418 1189 A N -0.068 122.773 122.820 0.035 0.000 2.019 1189 A HA -0.140 4.180 4.320 0.000 0.000 0.219 1189 A C 1.774 179.383 177.584 0.043 0.000 1.164 1189 A CA 1.264 53.315 52.037 0.024 0.000 0.644 1189 A CB -0.329 18.668 19.000 -0.005 0.000 0.805 1189 A HN 0.383 nan 8.150 nan 0.000 0.449 1190 M N -1.163 118.483 119.600 0.076 0.000 2.563 1190 M HA 0.179 4.659 4.480 0.000 0.000 0.231 1190 M C 1.267 177.619 176.300 0.087 0.000 1.136 1190 M CA 0.702 56.059 55.300 0.096 0.000 1.026 1190 M CB 0.243 32.943 32.600 0.166 0.000 1.597 1190 M HN 0.605 nan 8.290 nan 0.000 0.495 1191 G N 0.606 109.451 108.800 0.075 0.000 2.159 1191 G HA2 -0.210 3.750 3.960 0.000 0.000 0.256 1191 G HA3 -0.210 3.750 3.960 0.000 0.000 0.256 1191 G C 0.086 175.015 174.900 0.048 0.000 0.977 1191 G CA -0.163 44.976 45.100 0.065 0.000 0.652 1191 G HN 0.321 nan 8.290 nan 0.000 0.531 1192 V N 1.635 121.575 119.914 0.043 0.000 2.599 1192 V HA 0.187 4.307 4.120 0.000 0.000 0.300 1192 V C 1.875 177.925 176.094 -0.074 0.000 1.034 1192 V CA 1.129 63.412 62.300 -0.028 0.000 1.115 1192 V CB 1.219 33.010 31.823 -0.054 0.000 0.934 1192 V HN 0.404 nan 8.190 nan 0.000 0.485 1193 M N 3.214 122.754 119.600 -0.100 0.000 2.236 1193 M HA 0.079 4.559 4.480 0.000 0.000 0.266 1193 M C 0.645 176.842 176.300 -0.171 0.000 1.070 1193 M CA 1.135 56.359 55.300 -0.127 0.000 1.137 1193 M CB -0.010 32.532 32.600 -0.097 0.000 1.378 1193 M HN 0.960 nan 8.290 nan 0.000 0.426 1194 N N -1.682 116.896 118.700 -0.203 0.000 3.046 1194 N HA 0.165 4.905 4.740 0.000 0.000 0.243 1194 N C -1.972 173.378 175.510 -0.267 0.000 1.452 1194 N CA -0.687 52.248 53.050 -0.192 0.000 0.882 1194 N CB 1.057 39.487 38.487 -0.094 0.000 1.425 1194 N HN 0.015 nan 8.380 nan 0.000 0.517 1195 Y N -0.363 119.885 120.300 -0.087 0.000 2.360 1195 Y HA 0.455 5.005 4.550 0.000 0.000 0.337 1195 Y C 0.326 176.172 175.900 -0.090 0.000 1.039 1195 Y CA -0.336 57.700 58.100 -0.108 0.000 1.109 1195 Y CB 1.666 40.045 38.460 -0.135 0.000 1.201 1195 Y HN 0.766 nan 8.280 nan 0.000 0.458 1196 E N 0.421 120.684 120.200 0.106 0.000 2.421 1196 E HA 0.487 4.838 4.350 0.000 0.000 0.265 1196 E C -1.006 175.618 176.600 0.040 0.000 0.990 1196 E CA -0.807 55.627 56.400 0.057 0.000 0.874 1196 E CB 1.137 30.858 29.700 0.035 0.000 1.646 1196 E HN 0.536 nan 8.360 nan 0.000 0.451 1197 M N -0.542 119.076 119.600 0.030 0.000 2.340 1197 M HA 0.343 4.823 4.480 0.000 0.000 0.345 1197 M C -0.145 176.163 176.300 0.014 0.000 1.008 1197 M CA 0.227 55.539 55.300 0.020 0.000 0.987 1197 M CB 0.695 33.312 32.600 0.028 0.000 1.598 1197 M HN 0.518 nan 8.290 nan 0.000 0.569 1198 E N -0.826 119.381 120.200 0.012 0.000 2.535 1198 E HA 0.070 4.420 4.350 0.000 0.000 0.216 1198 E C 1.797 178.394 176.600 -0.004 0.000 0.845 1198 E CA 0.537 56.940 56.400 0.005 0.000 1.306 1198 E CB 0.443 30.148 29.700 0.009 0.000 1.291 1198 E HN 0.305 nan 8.360 nan 0.000 0.635 1199 S N 0.778 116.477 115.700 -0.002 0.000 2.383 1199 S HA -0.080 4.390 4.470 0.000 0.000 0.227 1199 S C 2.231 176.825 174.600 -0.010 0.000 1.026 1199 S CA 0.893 59.088 58.200 -0.008 0.000 0.981 1199 S CB -0.280 62.916 63.200 -0.006 0.000 0.818 1199 S HN 0.226 nan 8.310 nan 0.000 0.472 1200 A N 1.952 124.770 122.820 -0.003 0.000 1.883 1200 A HA -0.078 4.242 4.320 0.000 0.000 0.217 1200 A C 2.449 180.038 177.584 0.008 0.000 1.186 1200 A CA 2.266 54.309 52.037 0.010 0.000 0.624 1200 A CB -1.747 17.265 19.000 0.020 0.000 0.822 1200 A HN 0.561 nan 8.150 nan 0.000 0.444 1201 T N -0.081 114.472 114.554 -0.003 0.000 2.708 1201 T HA -0.121 4.229 4.350 0.000 0.000 0.266 1201 T C 1.870 176.500 174.700 -0.117 0.000 1.037 1201 T CA 1.497 63.584 62.100 -0.023 0.000 1.146 1201 T CB -0.418 68.446 68.868 -0.007 0.000 0.865 1201 T HN 0.336 nan 8.240 nan 0.000 0.435 1202 L N 1.083 122.242 121.223 -0.108 0.000 1.989 1202 L HA -0.017 4.323 4.340 0.000 0.000 0.211 1202 L C 2.197 178.975 176.870 -0.152 0.000 1.071 1202 L CA 1.729 56.471 54.840 -0.162 0.000 0.749 1202 L CB -0.743 41.257 42.059 -0.099 0.000 0.890 1202 L HN 0.250 nan 8.230 nan 0.000 0.431 1203 L N -1.374 119.809 121.223 -0.067 0.000 2.093 1203 L HA -0.177 4.163 4.340 0.000 0.000 0.208 1203 L C 2.338 179.203 176.870 -0.008 0.000 1.085 1203 L CA 1.629 56.458 54.840 -0.020 0.000 0.755 1203 L CB -1.094 40.977 42.059 0.020 0.000 0.904 1203 L HN 0.307 nan 8.230 nan 0.000 0.435 1204 T N 0.509 115.052 114.554 -0.017 0.000 2.737 1204 T HA -0.197 4.153 4.350 0.000 0.000 0.265 1204 T C 1.863 176.459 174.700 -0.173 0.000 1.038 1204 T CA 1.829 63.933 62.100 0.006 0.000 1.144 1204 T CB -0.209 68.689 68.868 0.050 0.000 0.866 1204 T HN 0.438 nan 8.240 nan 0.000 0.434 1205 M N 0.204 119.576 119.600 -0.380 0.000 2.229 1205 M HA -0.006 4.474 4.480 0.000 0.000 0.264 1205 M C 2.215 178.242 176.300 -0.456 0.000 1.063 1205 M CA 1.462 56.302 55.300 -0.767 0.000 1.114 1205 M CB -1.005 30.687 32.600 -1.512 0.000 1.387 1205 M HN 0.173 nan 8.290 nan 0.000 0.420 1206 C N 1.412 120.534 119.300 -0.297 0.000 2.489 1206 C HA 0.154 4.614 4.460 0.000 0.000 0.279 1206 C C 3.285 178.252 174.990 -0.038 0.000 1.266 1206 C CA 1.022 59.946 59.018 -0.157 0.000 1.707 1206 C CB -1.180 26.499 27.740 -0.101 0.000 2.059 1206 C HN 0.765 nan 8.230 nan 0.000 0.481 1207 A N 1.064 123.899 122.820 0.025 0.000 2.024 1207 A HA -0.152 4.168 4.320 0.000 0.000 0.220 1207 A C 2.143 179.824 177.584 0.162 0.000 1.164 1207 A CA 2.226 54.354 52.037 0.152 0.000 0.643 1207 A CB -0.637 18.542 19.000 0.299 0.000 0.806 1207 A HN 0.729 nan 8.150 nan 0.000 0.451 1208 S N -1.946 113.728 115.700 -0.044 0.000 2.575 1208 S HA 0.169 4.639 4.470 0.000 0.000 0.215 1208 S C 0.916 175.475 174.600 -0.069 0.000 0.966 1208 S CA 0.286 58.380 58.200 -0.177 0.000 0.911 1208 S CB 0.067 62.951 63.200 -0.528 0.000 0.780 1208 S HN 0.639 nan 8.310 nan 0.000 0.514 1209 Q N 0.179 119.959 119.800 -0.033 0.000 2.086 1209 Q HA 0.334 4.674 4.340 0.000 0.000 0.220 1209 Q C 0.669 176.684 176.000 0.026 0.000 0.792 1209 Q CA 0.054 55.853 55.803 -0.006 0.000 1.062 1209 Q CB 1.060 29.779 28.738 -0.032 0.000 1.198 1209 Q HN 0.631 nan 8.270 nan 0.000 0.466 1210 G N 1.491 110.317 108.800 0.044 0.000 2.160 1210 G HA2 -0.276 3.684 3.960 0.000 0.000 0.251 1210 G HA3 -0.276 3.684 3.960 0.000 0.000 0.251 1210 G C -0.058 174.885 174.900 0.071 0.000 1.008 1210 G CA 0.257 45.393 45.100 0.060 0.000 0.724 1210 G HN 0.264 nan 8.290 nan 0.000 0.514 1211 L N -0.431 120.837 121.223 0.076 0.000 2.334 1211 L HA 0.627 4.967 4.340 0.000 0.000 0.275 1211 L C 0.969 177.918 176.870 0.132 0.000 1.036 1211 L CA -1.103 53.814 54.840 0.129 0.000 0.807 1211 L CB 1.302 43.465 42.059 0.172 0.000 1.231 1211 L HN 0.042 nan 8.230 nan 0.000 0.438 1212 R N 1.882 122.476 120.500 0.156 0.000 2.297 1212 R HA 0.743 5.083 4.340 0.000 0.000 0.308 1212 R C -0.699 175.705 176.300 0.173 0.000 1.029 1212 R CA -0.440 55.736 56.100 0.128 0.000 0.929 1212 R CB 1.554 31.904 30.300 0.084 0.000 1.046 1212 R HN 0.723 nan 8.270 nan 0.000 0.461 1213 A N 1.573 124.468 122.820 0.126 0.000 2.475 1213 A HA 0.814 5.134 4.320 0.000 0.000 0.301 1213 A C -0.729 176.900 177.584 0.075 0.000 1.059 1213 A CA -0.647 51.465 52.037 0.125 0.000 0.710 1213 A CB 2.214 21.264 19.000 0.084 0.000 1.288 1213 A HN 0.761 nan 8.150 nan 0.000 0.408 1214 G N 0.472 109.312 108.800 0.067 0.000 2.642 1214 G HA2 0.645 4.605 3.960 0.000 0.000 0.293 1214 G HA3 0.645 4.605 3.960 0.000 0.000 0.293 1214 G C -1.237 173.684 174.900 0.035 0.000 1.341 1214 G CA -0.489 44.632 45.100 0.036 0.000 0.916 1214 G HN 0.574 nan 8.290 nan 0.000 0.474 1215 M N 1.214 120.826 119.600 0.021 0.000 2.324 1215 M HA 0.537 5.017 4.480 0.000 0.000 0.288 1215 M C -1.630 174.679 176.300 0.014 0.000 1.097 1215 M CA -0.738 54.573 55.300 0.020 0.000 0.928 1215 M CB 1.801 34.410 32.600 0.015 0.000 1.648 1215 M HN 0.485 nan 8.290 nan 0.000 0.460 1216 V N 3.142 123.065 119.914 0.016 0.000 2.888 1216 V HA 0.991 5.111 4.120 0.000 0.000 0.309 1216 V C -1.557 174.548 176.094 0.019 0.000 1.114 1216 V CA -0.243 62.067 62.300 0.016 0.000 0.940 1216 V CB 2.026 33.856 31.823 0.011 0.000 1.021 1216 V HN 1.008 nan 8.190 nan 0.000 0.426 1217 A N 3.805 126.638 122.820 0.023 0.000 2.539 1217 A HA 0.933 5.253 4.320 0.000 0.000 0.296 1217 A C -0.242 177.360 177.584 0.029 0.000 1.073 1217 A CA -0.154 51.897 52.037 0.023 0.000 0.700 1217 A CB 1.906 20.917 19.000 0.018 0.000 1.296 1217 A HN 1.589 nan 8.150 nan 0.000 0.405 1218 G N -0.083 108.733 108.800 0.027 0.000 2.348 1218 G HA2 0.528 4.488 3.960 0.000 0.000 0.312 1218 G HA3 0.528 4.488 3.960 0.000 0.000 0.312 1218 G C -0.554 174.355 174.900 0.016 0.000 1.126 1218 G CA -0.387 44.730 45.100 0.028 0.000 0.865 1218 G HN 0.926 nan 8.290 nan 0.000 0.474 1219 V N 3.426 123.348 119.914 0.012 0.000 2.427 1219 V HA 0.097 4.217 4.120 0.000 0.000 0.268 1219 V C 1.302 177.393 176.094 -0.005 0.000 1.046 1219 V CA 0.047 62.346 62.300 -0.002 0.000 0.970 1219 V CB 0.508 32.323 31.823 -0.013 0.000 1.001 1219 V HN 0.767 nan 8.190 nan 0.000 0.476 1220 I N 3.480 124.050 120.570 0.000 0.000 3.708 1220 I HA 0.438 4.608 4.170 0.000 0.000 0.302 1220 I C 0.435 176.554 176.117 0.003 0.000 1.255 1220 I CA 0.563 61.864 61.300 0.002 0.000 1.362 1220 I CB 0.733 38.739 38.000 0.011 0.000 1.100 1220 I HN 0.415 nan 8.210 nan 0.000 0.434 1221 V N 1.050 120.965 119.914 0.002 0.000 3.087 1221 V HA 0.456 4.576 4.120 0.000 0.000 0.306 1221 V C -1.709 174.379 176.094 -0.010 0.000 1.187 1221 V CA -0.653 61.648 62.300 0.001 0.000 0.999 1221 V CB 2.398 34.230 31.823 0.014 0.000 1.049 1221 V HN 0.348 nan 8.190 nan 0.000 0.431 1222 N N 3.767 122.460 118.700 -0.012 0.000 2.407 1222 N HA 0.378 5.118 4.740 0.000 0.000 0.277 1222 N C 0.513 176.020 175.510 -0.005 0.000 0.995 1222 N CA -0.615 52.423 53.050 -0.020 0.000 0.903 1222 N CB 1.778 40.247 38.487 -0.031 0.000 1.218 1222 N HN 0.562 nan 8.380 nan 0.000 0.487 1223 R N 0.713 121.214 120.500 0.003 0.000 2.237 1223 R HA -0.046 4.294 4.340 0.000 0.000 0.219 1223 R C 1.413 177.729 176.300 0.027 0.000 1.080 1223 R CA 0.899 57.013 56.100 0.024 0.000 0.995 1223 R CB -0.701 29.634 30.300 0.058 0.000 0.875 1223 R HN 0.662 nan 8.270 nan 0.000 0.462 1224 T N -1.498 113.064 114.554 0.013 0.000 3.215 1224 T HA -0.002 4.348 4.350 0.000 0.000 0.254 1224 T C 1.303 176.012 174.700 0.015 0.000 1.149 1224 T CA 0.425 62.534 62.100 0.015 0.000 1.042 1224 T CB 0.138 69.010 68.868 0.007 0.000 0.966 1224 T HN 0.335 nan 8.240 nan 0.000 0.534 1225 Q N -0.805 119.003 119.800 0.014 0.000 2.215 1225 Q HA 0.360 4.700 4.340 0.000 0.000 0.257 1225 Q C 0.232 176.244 176.000 0.021 0.000 0.792 1225 Q CA -0.162 55.651 55.803 0.015 0.000 0.958 1225 Q CB 0.835 29.579 28.738 0.011 0.000 1.158 1225 Q HN 0.489 nan 8.270 nan 0.000 0.490 1226 Q N -0.288 119.526 119.800 0.023 0.000 2.435 1226 Q HA 0.276 4.616 4.340 0.000 0.000 0.282 1226 Q C -0.468 175.548 176.000 0.027 0.000 1.020 1226 Q CA -0.200 55.620 55.803 0.028 0.000 0.820 1226 Q CB 2.771 31.525 28.738 0.026 0.000 1.436 1226 Q HN 0.051 nan 8.270 nan 0.000 0.395 1227 E N 0.858 121.080 120.200 0.036 0.000 2.038 1227 E HA 0.099 4.449 4.350 0.000 0.000 0.190 1227 E C 0.165 176.776 176.600 0.019 0.000 0.967 1227 E CA 0.423 56.833 56.400 0.017 0.000 0.816 1227 E CB 0.474 30.204 29.700 0.051 0.000 0.784 1227 E HN 0.364 nan 8.360 nan 0.000 0.456 1228 I N 3.407 124.022 120.570 0.075 0.000 2.416 1228 I HA 0.136 4.306 4.170 0.000 0.000 0.288 1228 I C -1.875 174.289 176.117 0.077 0.000 1.051 1228 I CA -2.069 59.298 61.300 0.112 0.000 1.375 1228 I CB 0.040 38.121 38.000 0.135 0.000 1.407 1228 I HN -0.032 nan 8.210 nan 0.000 0.516 1235 K N 0.774 121.157 120.400 -0.028 0.000 2.283 1235 K HA -0.017 4.303 4.320 0.000 0.000 0.202 1235 K C 1.532 178.117 176.600 -0.024 0.000 1.048 1235 K CA 1.463 57.736 56.287 -0.023 0.000 0.948 1235 K CB 0.091 32.580 32.500 -0.019 0.000 0.742 1235 K HN 0.516 nan 8.250 nan 0.000 0.458 1236 Q N -0.660 119.116 119.800 -0.041 0.000 2.389 1236 Q HA -0.038 4.302 4.340 0.000 0.000 0.204 1236 Q C 1.312 177.247 176.000 -0.108 0.000 0.944 1236 Q CA 0.939 56.710 55.803 -0.054 0.000 0.908 1236 Q CB 0.491 29.184 28.738 -0.075 0.000 1.002 1236 Q HN 0.317 nan 8.270 nan 0.000 0.493 1237 T N 1.047 115.539 114.554 -0.104 0.000 2.809 1237 T HA -0.152 4.198 4.350 0.000 0.000 0.260 1237 T C 1.561 176.257 174.700 -0.005 0.000 1.039 1237 T CA 1.544 63.581 62.100 -0.104 0.000 1.141 1237 T CB -0.055 68.770 68.868 -0.071 0.000 0.869 1237 T HN 0.536 nan 8.240 nan 0.000 0.437 1238 E N 0.884 121.085 120.200 0.001 0.000 2.274 1238 E HA 0.030 4.380 4.350 0.000 0.000 0.194 1238 E C 2.223 178.844 176.600 0.034 0.000 0.996 1238 E CA 0.912 57.323 56.400 0.018 0.000 0.840 1238 E CB -0.288 29.414 29.700 0.003 0.000 0.772 1238 E HN 0.163 nan 8.360 nan 0.000 0.491 1239 S N -0.102 115.622 115.700 0.041 0.000 2.382 1239 S HA -0.159 4.311 4.470 0.000 0.000 0.228 1239 S C 1.691 176.367 174.600 0.125 0.000 1.027 1239 S CA 0.986 59.223 58.200 0.062 0.000 0.991 1239 S CB -0.374 62.862 63.200 0.060 0.000 0.823 1239 S HN 0.465 nan 8.310 nan 0.000 0.469 1240 H N 0.116 119.178 119.070 -0.012 0.000 2.299 1240 H HA -0.022 4.534 4.556 0.000 0.000 0.302 1240 H C 2.484 177.805 175.328 -0.011 0.000 1.078 1240 H CA 1.089 57.130 56.048 -0.011 0.000 1.323 1240 H CB -0.164 29.593 29.762 -0.007 0.000 1.381 1240 H HN 0.463 nan 8.280 nan 0.000 0.498 1241 A N 0.608 123.506 122.820 0.130 0.000 1.883 1241 A HA -0.149 4.171 4.320 0.000 0.000 0.217 1241 A C 2.685 180.285 177.584 0.026 0.000 1.186 1241 A CA 1.644 53.717 52.037 0.059 0.000 0.624 1241 A CB -0.911 18.118 19.000 0.049 0.000 0.822 1241 A HN 0.212 nan 8.150 nan 0.000 0.444 1242 V N -0.156 119.771 119.914 0.023 0.000 2.295 1242 V HA -0.285 3.835 4.120 0.000 0.000 0.246 1242 V C 2.515 178.604 176.094 -0.009 0.000 1.049 1242 V CA 2.488 64.790 62.300 0.002 0.000 1.024 1242 V CB -0.676 31.143 31.823 -0.006 0.000 0.648 1242 V HN 0.594 nan 8.190 nan 0.000 0.447 1243 K N -0.272 120.122 120.400 -0.009 0.000 2.074 1243 K HA -0.169 4.151 4.320 0.000 0.000 0.209 1243 K C 1.935 178.511 176.600 -0.040 0.000 1.048 1243 K CA 1.753 58.021 56.287 -0.032 0.000 0.926 1243 K CB -0.321 32.148 32.500 -0.052 0.000 0.713 1243 K HN 0.419 nan 8.250 nan 0.000 0.444 1244 I N -0.483 120.065 120.570 -0.037 0.000 2.252 1244 I HA -0.255 3.915 4.170 0.000 0.000 0.245 1244 I C 2.165 178.266 176.117 -0.027 0.000 1.102 1244 I CA 0.805 62.082 61.300 -0.039 0.000 1.385 1244 I CB -0.169 37.812 38.000 -0.030 0.000 1.064 1244 I HN 0.030 nan 8.210 nan 0.000 0.414 1245 V N 0.295 120.200 119.914 -0.016 0.000 2.427 1245 V HA -0.203 3.917 4.120 0.000 0.000 0.248 1245 V C 2.360 178.444 176.094 -0.017 0.000 1.051 1245 V CA 1.629 63.922 62.300 -0.012 0.000 1.048 1245 V CB 0.158 31.980 31.823 -0.002 0.000 0.666 1245 V HN 0.208 nan 8.190 nan 0.000 0.456 1246 V N 0.017 119.919 119.914 -0.020 0.000 2.358 1246 V HA -0.189 3.932 4.120 0.000 0.000 0.246 1246 V C 2.526 178.605 176.094 -0.025 0.000 1.047 1246 V CA 2.201 64.488 62.300 -0.021 0.000 1.035 1246 V CB -0.621 31.189 31.823 -0.023 0.000 0.658 1246 V HN 0.655 nan 8.190 nan 0.000 0.452 1247 E N 0.789 120.971 120.200 -0.030 0.000 2.150 1247 E HA -0.126 4.224 4.350 0.000 0.000 0.193 1247 E C 2.062 178.642 176.600 -0.033 0.000 0.985 1247 E CA 1.490 57.870 56.400 -0.033 0.000 0.814 1247 E CB -0.373 29.302 29.700 -0.041 0.000 0.752 1247 E HN 0.514 nan 8.360 nan 0.000 0.466 1248 A N 0.751 123.551 122.820 -0.033 0.000 1.898 1248 A HA 0.057 4.378 4.320 0.000 0.000 0.216 1248 A C 2.448 180.013 177.584 -0.031 0.000 1.181 1248 A CA 1.753 53.769 52.037 -0.035 0.000 0.620 1248 A CB -0.977 18.003 19.000 -0.033 0.000 0.819 1248 A HN 0.365 nan 8.150 nan 0.000 0.442 1249 A N -0.137 122.667 122.820 -0.027 0.000 1.892 1249 A HA -0.235 4.085 4.320 0.000 0.000 0.218 1249 A C 2.208 179.776 177.584 -0.027 0.000 1.188 1249 A CA 1.917 53.938 52.037 -0.027 0.000 0.631 1249 A CB -0.552 18.434 19.000 -0.023 0.000 0.822 1249 A HN 0.522 nan 8.150 nan 0.000 0.447 1250 R N -0.801 119.685 120.500 -0.025 0.000 2.113 1250 R HA -0.170 4.170 4.340 0.000 0.000 0.244 1250 R C 2.291 178.577 176.300 -0.024 0.000 1.142 1250 R CA 2.105 58.191 56.100 -0.023 0.000 0.953 1250 R CB -0.215 30.071 30.300 -0.023 0.000 0.860 1250 R HN 0.533 nan 8.270 nan 0.000 0.438 1251 R N -0.377 120.107 120.500 -0.028 0.000 2.276 1251 R HA 0.036 4.376 4.340 0.000 0.000 0.203 1251 R C 1.313 177.596 176.300 -0.028 0.000 1.017 1251 R CA 0.558 56.641 56.100 -0.028 0.000 1.010 1251 R CB 0.221 30.499 30.300 -0.036 0.000 0.900 1251 R HN 0.212 nan 8.270 nan 0.000 0.469 1252 L N 0.253 121.459 121.223 -0.028 0.000 2.667 1252 L HA 0.219 4.559 4.340 0.000 0.000 0.232 1252 L C 0.369 177.225 176.870 -0.024 0.000 1.138 1252 L CA -0.194 54.630 54.840 -0.026 0.000 0.921 1252 L CB 0.182 42.224 42.059 -0.029 0.000 1.180 1252 L HN 0.060 nan 8.230 nan 0.000 0.487 1253 L N 0.000 121.209 121.223 -0.023 0.000 2.949 1253 L HA 0.000 4.340 4.340 0.000 0.000 0.249 1253 L CA 0.000 54.827 54.840 -0.022 0.000 0.813 1253 L CB 0.000 42.047 42.059 -0.020 0.000 0.961 1253 L HN 0.000 nan 8.230 nan 0.000 0.502